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]propanoylamino]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]propanoylamino]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]propanoylamino]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]-1-oxopropyl]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]propanoylamino]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]propanoylamino]propionic acid Formula: C36H61N3O8 MolecularWeight: 663.88484

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

InChI

InChI=1S/C36H61N3O8/c1-23-18-24(2)33(44)28(19-23)29(40)20-27-21-31(42)39(32(43)22-27)36(5,6)17-15-13-11-9-7-8-10-12-14-16-30(41)37-25(3)34(45)38-26(4)35(46)47/h23-29,40H,7-22H2,1-6H3,(H,37,41)(H,38,45)(H,46,47)/t23-,24-,25?,26?,28?,29?/m0/s1