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]-3-methyl-butanoyl]amino]-3-methyl-butanoic 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]-3-methyl-butanoyl]amino]-3-methyl-butanoic 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]-3-methyl-butanoyl]amino]-3-methyl-butanoic 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]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic 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]-3-methylbutanoyl]amino]-3-methylbutanoic 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]-3-methyl-butanoyl]amino]-3-methyl-butyric acid Formula: C40H69N3O8 MolecularWeight: 719.99116

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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(C(C)C)C(=O)NC(C(C)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(C(C)C)C(=O)NC(C(C)C)C(=O)O)O)C

InChI

InChI=1S/C40H69N3O8/c1-25(2)35(38(49)42-36(26(3)4)39(50)51)41-32(45)18-16-14-12-10-9-11-13-15-17-19-40(7,8)43-33(46)23-29(24-34(43)47)22-31(44)30-21-27(5)20-28(6)37(30)48/h25-31,35-36,44H,9-24H2,1-8H3,(H,41,45)(H,42,49)(H,50,51)/t27-,28-,30?,31?,35?,36?/m0/s1