(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-2,13-dimethoxy-22-[(1S,3R,4R)-3-methoxy-4-oxidanyl-cyclohexyl]-3,9,11,15,17,21-hexamethyl-14-oxidanyl-12,18-bis(oxidanylidene)docosa-3,5,7,15,19-pentaenyl]-3-methyl-2-oxidanyl-oxan-2-yl]-2-oxidanylidene-ethanoyl]piperidine-2-carboxamide

Systemtic Name: (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-2,13-dimethoxy-22-[(1S,3R,4R)-3-methoxy-4-oxidanyl-cyclohexyl]-3,9,11,15,17,21-hexamethyl-14-oxidanyl-12,18-bis(oxidanylidene)docosa-3,5,7,15,19-pentaenyl]-3-methyl-2-oxidanyl-oxan-2-yl]-2-oxidanylidene-ethanoyl]piperidine-2-carboxamide Openeye Name: (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxy-cyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-docosa-3,5,7,15,19-pentaenyl]-3-methyl-tetrahydropyran-2-yl]-2-oxo-acetyl]piperidine-2-carboxamide CAS Name: (2S)-N-[2-(1-cyclohexenyl)ethyl]-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaenyl]-3-methyl-2-oxanyl]-1,2-dioxoethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaenyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxamide Traditional Name: (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxy-cyclohexyl]-12,18-diketo-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-docosa-3,5,7,15,19-pentaenyl]-3-methyl-tetrahydropyran-2-yl]-2-keto-acetyl]pipecolinamide Formula: C59H92N2O12 MolecularWeight: 1021.36798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OC1(C(=O)C(=O)N2CCCCC2C(=O)NCCC3=CCCCC3)O)CC(C(=CC=CC=CC(C)CC(C)C(=O)C(C(C(=CC(C)C(=O)C=CC(C)CC4CCC(C(C4)OC)O)C)O)OC)C)OC

Isomeric SMILES

C[C@@H]1CC[C@H](O[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)NCCC3=CCCCC3)O)C[C@@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@@H]([C@@H](/C(=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)OC)/C)OC

InChI

InChI=1S/C59H92N2O12/c1-38(33-42(5)53(64)55(72-10)54(65)43(6)35-41(4)49(62)28-24-39(2)34-46-26-29-50(63)52(36-46)71-9)19-13-11-14-20-40(3)51(70-8)37-47-27-25-44(7)59(69,73-47)56(66)58(68)61-32-18-17-23-48(61)57(67)60-31-30-45-21-15-12-16-22-45/h11,13-14,19-21,24,28,35,38-39,41-42,44,46-48,50-52,54-55,63,65,69H,12,15-18,22-23,25-27,29-34,36-37H2,1-10H3,(H,60,67)/b14-11+,19-13+,28-24+,40-20+,43-35+/t38-,39+,41-,42-,44-,46+,47+,48+,50-,51+,52-,54-,55+,59-/m1/s1