O4-[(3S,7S,10S,12S,13R)-10,13-dimethyl-17-[5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentan-2-yl]-7,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] O1-[[3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]-5-phenyl-thiophen-2-yl]carbonyloxymethyl] butanedioate hydrochloride

Systemtic Name: O4-[(3S,7S,10S,12S,13R)-10,13-dimethyl-17-[5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentan-2-yl]-7,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] O1-[[3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]-5-phenyl-thiophen-2-yl]carbonyloxymethyl] butanedioate hydrochloride Openeye Name: O4-[(3S,7S,10S,12S,13R)-17-[4-[(2-tert-butoxy-2-oxo-ethyl)amino]-1-methyl-4-oxo-butyl]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] O1-[[3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-phenyl-thiophene-2-carbonyl]oxymethyl] butanedioate hydrochloride CAS Name: butanedioic acid O4-[(3S,7S,10S,12S,13R)-7,12-dihydroxy-10,13-dimethyl-17-[5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester O1-[[[3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methyl-4-piperidinyl)amino]-5-phenyl-2-thiophenyl]-oxomethoxy]methyl] ester hydrochloride IUPAC Name: 4-O-[(3S,7S,10S,12S,13R)-7,12-dihydroxy-10,13-dimethyl-17-[5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-O-[[3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]-5-phenylthiophene-2-carbonyl]oxymethyl] butanedioate hydrochloride Traditional Name: succinic acid O4-[(3S,7S,10S,12S,13R)-17-[4-[(2-tert-butoxy-2-keto-ethyl)amino]-4-keto-1-methyl-butyl]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester O1-[[3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-phenyl-thiophene-2-carbonyl]oxymethyl] ester hydrochloride Formula: C60H88ClN3O12S MolecularWeight: 1110.87162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)OCOC(=O)CCC(=O)OC5CCC6(C(C5)CC(C7C6CC(C8(C7CCC8C(C)CCC(=O)NCC(=O)OC(C)(C)C)C)O)O)C.Cl

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)OCOC(=O)CCC(=O)O[C@H]5CC[C@]6(C(C5)C[C@@H](C7C6C[C@@H]([C@]8(C7CCC8C(C)CCC(=O)NCC(=O)OC(C)(C)C)C)O)O)C.Cl

InChI

InChI=1S/C60H87N3O12S.ClH/c1-36-14-17-39(18-15-36)56(70)63(41-25-28-62(8)29-26-41)46-33-48(38-12-10-9-11-13-38)76-55(46)57(71)73-35-72-51(67)22-23-52(68)74-42-24-27-59(6)40(30-42)31-47(64)54-44-20-19-43(60(44,7)49(65)32-45(54)59)37(2)16-21-50(66)61-34-53(69)75-58(3,4)5;/h9-13,33,36-37,39-45,47,49,54,64-65H,14-32,34-35H2,1-8H3,(H,61,66);1H/t36?,37?,39?,40?,42-,43?,44?,45?,47-,49-,54?,59-,60+;/m0./s1