2-[[2-[[13-[4-[2-[(3S,5S)-3,5-dimethyl-2-oxidanylidene-cyclohexyl]-2-oxidanyl-ethyl]-2,6-bis(oxidanylidene)piperidin-1-yl]-13-methyl-tetradecanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[[13-[4-[2-[(3S,5S)-3,5-dimethyl-2-oxidanylidene-cyclohexyl]-2-oxidanyl-ethyl]-2,6-bis(oxidanylidene)piperidin-1-yl]-13-methyl-tetradecanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[13-[4-[2-[(3S,5S)-3,5-dimethyl-2-oxo-cyclohexyl]-2-hydroxy-ethyl]-2,6-dioxo-1-piperidyl]-13-methyl-tetradecanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid CAS Name: 2-[[2-[[13-[4-[2-[(3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-dioxo-1-piperidinyl]-13-methyl-1-oxotetradecyl]amino]-4-(methylthio)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-[[13-[4-[2-[(3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-dioxopiperidin-1-yl]-13-methyltetradecanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[13-[4-[2-hydroxy-2-[(3S,5S)-2-keto-3,5-dimethyl-cyclohexyl]ethyl]-2,6-diketo-piperidino]-13-methyl-tetradecanoyl]amino]-4-(methylthio)butanoyl]amino]propionic acid Formula: C38H65N3O8S MolecularWeight: 724.003

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)C(C)(C)CCCCCCCCCCCC(=O)NC(CCSC)C(=O)NC(C)C(=O)O)O)C

Isomeric SMILES

C[C@H]1C[C@@H](C(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)C(C)(C)CCCCCCCCCCCC(=O)NC(CCSC)C(=O)NC(C)C(=O)O)O)C

InChI

InChI=1S/C38H65N3O8S/c1-25-20-26(2)35(46)29(21-25)31(42)22-28-23-33(44)41(34(45)24-28)38(4,5)18-15-13-11-9-7-8-10-12-14-16-32(43)40-30(17-19-50-6)36(47)39-27(3)37(48)49/h25-31,42H,7-24H2,1-6H3,(H,39,47)(H,40,43)(H,48,49)/t25-,26-,27?,29?,30?,31?/m0/s1