Peptidomimétiques
Daptomycine, TRC
CAS: 103060-53-3 Formule moléculaire: C72 H101 N17 O26 Poids moléculaire (g/mol): 1620.67 Synonyme: Daptomycin,1-Oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontane, cyclic peptide deriv.,Benzenebutanoic acid, N-(1-oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-L-α-aspartylglycyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-α,2-diamino-γ-oxo-, (13→4)-lactone, (αS)-,Cidecin,Cubicin,Dapcin,Daptomicina,Daptomycine,Daptomycinum,Deptomycin,LY 146032,N-(1-Oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-L-α-aspartylglycyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-(αS)-α,2-diamino-γ-oxobenzenebutanoic acid (13→4)-lactone Nom IUPAC: (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(décanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,) 6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophényl)-2-oxoéthyle]-24-(3-aminopropyl)-15,21-bis(carboxyméthyl)-6-[(2R)-1-carboxypropane-2-yl]-9-(hydroxyméthyl)-18,31-diméthyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-acide oxobutanoïque SMILES: CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)c4ccccc4N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)[C@H](C)CC(=O)O
Valifenalate, TRC
CAS: 283159-90-0 Formule moléculaire: C19 H27 Cl N2 O5 Poids moléculaire (g/mol): 398.88 Synonyme: β-Alanine, N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-, methyl ester,IR 5885,Valifenalate,Valiphenal Nom IUPAC: méthyl 3-(4-chlorophényl)-3-[[(2S)-3-méthyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino] propanoate SMILES: COC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1
9-Norketo FK-506, TRC
CAS: 123719-19-7 Formule moléculaire: C43H69NO11 Poids moléculaire (g/mol): 776.01 Synonyme: [3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,25aR*]]- 3,4,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-Octadecahydro-5,19-dihydroxy-3-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-15,19-epoxypyrido[2,1-c][1,4]oxaazacyclodocosine-1,7,20(22H)-trione SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC
BPC 157, TRC
CAS: 137525-51-0 Formule moléculaire: C62 H98 N16 O22 Poids moléculaire (g/mol): 1419.54 Synonyme: BPC 157,Glycyl-L-α-glutamyl-L-prolyl-L-prolyl-L-prolylglycyl-L-lysyl-L-prolyl-L-alanyl-L-α-aspartyl-L-α-aspartyl-L-alanylglycyl-L-leucyl-L-valine; Nom IUPAC: (4S)-4-[(2-aminoacétyl)amino]-5-[(2S)-2-[(2S)-2-[(2S)-2-[[2-[[(1S)-5-amino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-(carboxyméthyl)-2-[[(1S)-1-(carboxyméthyl)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-carboxy-2-méthyl-propyl]carbamoyl]-3-méthyl-butyl]amino]-2-oxo-éthyl]amino]-1-méthyl-2-oxo-éthyl]amino]-2-oxo-éthyl]amino]-2-oxo-éthyl]amino]-1-méthyl-2-oxo-éthyle]carbamoyl]pyrrolidine-1-carbonyl]pentyl]amino]-2-oxo-éthyle]carbamoyl]pyrrolidine-1-carbonyl]Pyrrolidine-1-Carbonyl]pyrrolidine-1-Yl]-5-Oxo-Pentanoïque Acide SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)O
Sulfate de bléomycine (un mélange de sels de sulfate de bléomycine) >90 %, TRC
CAS: 9041-93-4 Formule moléculaire: C55 H84 N17 O21 S3 . C55 H84 N20 O21 S2 . H O4 S . H2 O4 S Poids moléculaire (g/mol): 3036.21 Synonyme: Bleomycin, sulfate (salt),Blenoxane,Bleomycin sulfate,Blexane Nom IUPAC: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,6R) 2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-méthylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-(4-carbamimidamidobutylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino-3-hydroxy-1-oxobutan-2-yl]amino-3-hydroxy-4-méthyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxyméthyloxan-3-yl]oxy-3, 5-dihydroxy-6-(hydroxyméthyl)oxan-4-yl] carbamate ; 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-méthylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxyméthyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxyméthyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-méthylpentanoyl]amino]-3-hydroxybutanoyl]amino]éthyle-1,3-thiazol-4-yl]1,3- thiazole-4-carbonyl]amino]propyl-diméthylsulfanium ; sulfate d’hydrogène ; Acide sulfurique SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4cnc[nH]4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=N)N.C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c7nc(nc(N)c7C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]8O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]8O[C@H]9O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]9O)c%10cnc[nH]%10)C(=O)NCCc%11nc(cs%11)c%12nc(cs%12)C(=O)NCCC[S+](C)C.OS(=O)(=O)O.OS(=O)(=O)[O-]
Monométhyl Auristatine F, TRC
CAS: 745017-94-1 Formule moléculaire: C39H65N5O8 Poids moléculaire (g/mol): 731.96 Synonyme: N-Methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-L-phenylalanine,MMAF,Monomethylauristatin Phenylalanine SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C
L-Anserine, TRC
CAS: 584-85-0 Formule moléculaire: C10 H16 N4 O3 Poids moléculaire (g/mol): 240.26 Synonyme: β-Alanyl-3-methyl-L-histidine,Anserine (8CI),Histidine, N-β-alanyl-3-methyl-, L- (7CI),L-Histidine, N-β-alanyl-3-methyl-,β-Alanyl-3-methyl-L-histidine,1: PN: WO2009033771 PAGE: 100 claimed protein,L-Anserine,Marine Active Nom IUPAC: (2S)-2-(3-aminopropanoylamino)-3-(3-méthylimidazol-4-yl)acide propanoïque SMILES: Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O
Iso Cyclosporine A, TRC
CAS: 59865-16-6 Formule moléculaire: C62 H111 N11 O12 Poids moléculaire (g/mol): 1202.61 Synonyme: Isociclosporin A,(2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine (11→1)-lactone,Isocyclosporin A,1-Oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane, cyclic peptide deriv.,[2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine sigma1-lactone Nom IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-éthyle-34-[(E,2R)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octaméthyl-33-(méthylamino)-6,9,18,24-tétrakis(2-méthylpropyl)-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: CC[C@@H]1NC(=O)[C@@H](NC)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C)[C@H](C)C\C=C\C
L-Carnosine, TRC
CAS: 305-84-0 Formule moléculaire: C9 H14 N4 O3 Poids moléculaire (g/mol): 226.23 Synonyme: β-Alanyl-L-histidine,Carnosine (8CI),β-Alanyl-L-histidine,2: PN: WO2009033754 PAGE: 98 claimed protein,Dragosine,Ignotin,Ignotine,Karnozin,L-Carnosine,N-(β-Alanyl)-L-histidine,NSC 524045,Sevitin,β-Alanylhistidine Nom IUPAC: (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)acide propanoïque SMILES: NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
Valspodar, TRC
CAS: 121584-18-7 Formule moléculaire: C63 H111 N11 O12 Poids moléculaire (g/mol): 1214.62 Synonyme: 6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoic Acid]-7-L-valine- Nom IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamétyl-33-[(E,2R)-2-méthylhex-4-énoyl]-6,9,18,24-tetrakis(2-méthylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undécazacyclotriatriaconne-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C
Cyclosporine H, TRC
CAS: 83602-39-5 Formule moléculaire: C62 H111 N11 O12 Poids moléculaire (g/mol): 1202.61 Synonyme: Ciclosporin H,5-(N-Methyl-D-valine)-cyclosporin A,Cyclosporin H,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-D-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl],Cyclosporine H,Sandoz 37-839 Nom IUPAC: (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-méthylhex-4-ényl]-1,4,7,10,12,15,19,25,28-nonaméthyl-6,9,18,24-tétrakis(2-méthylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undécazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Enramycine A, TRC
CAS: 34438-27-2 Formule moléculaire: C107H138Cl2N26O31 Poids moléculaire (g/mol): 2355.33 Synonyme: 1-Oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontane, enduracidin A derivative,[1(Z,E),10(R),15(R)]-N-(10-Methyl-1-oxo-2,4-undecadienyl)-L-α-aspartyl-L-threonyl-D-2-(4-hydroxyphenyl)glycyl-D-ornithyl-D-allothreonyl-L-2-(4-hydroxyphenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-L-allothreonyl-N5-(aminocarbonyl)-L-ornithyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-D-alanyl-L-2-(4-hydroxyphenyl)glycyl-D-seryl-L-2-(3,5-dichloro-4-hydroxyphenyl)glycylglycyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-L-alanyl-D-alanyl-L-2-(4-hydroxyphenyl)glycine ψ1-lactone; SMILES: CC(C)CCCC\C=C\C=C/C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C[C@@H]2CN=C(N)N2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H]3CN=C(N)N3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC1=O)c4ccc(O)cc4)[C@@H](C)O)c5ccc(O)cc5)c6ccc(O)cc6)[C@H](C)O)c7ccc(O)cc7)c8cc(Cl)c(O)c(Cl)c8)c9ccc(O)cc9
Cyclosporine C, TRC
CAS: 59787-61-0 Formule moléculaire: C62 H111 N11 O13 Poids moléculaire (g/mol): 1218.61 Synonyme: Ciclosporin C,7-L-Threonine-cyclosporin A,Cyclosporin C,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-threonyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl] Nom IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-hydroxyéthyle]-33-[(E,1R,2R)-1-hydroxy-2-méthylhex-4-ényl]-1,4,7,10,12,15,19,25,28-nonaméthyl-6,9,18,24-tétrakis(2-méthylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undécazacyclotritriaconte-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)[C@@H](C)O)C(C)C
Valinomycine, TRC
CAS: 2001-95-8 Formule moléculaire: C54 H90 N6 O18 Poids moléculaire (g/mol): 1111.32 Synonyme: 3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone,1Cyclo(D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-α- Nom IUPAC: (3S,6S,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-triméthyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodécone SMILES: CC(C)[C@H]1NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)C(NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
Ester d’acide fenofibrique 1,1-diméthyl-2-(1-méthylétoxy)-2-oxoéthylique, TRC
CAS: 217636-48-1 Formule moléculaire: C24 H27 Cl O6 Poids moléculaire (g/mol): 446.92 Synonyme: 1-Methylethyl 2-[[2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxy]-2-methylpropanoate,Fenofibrate Imp. G (EP) Nom IUPAC: propan-2-yl 2-[2-[4-(4-chlorobenzoyl)phénoxy]-2-méthylpropanoyl]oxy-2-méthylpropanoate SMILES: CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2
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