[(5S,8R,9S,10S,13R,14S)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoate

Systemtic Name: [(5S,8R,9S,10S,13R,14S)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoate Openeye Name: [(5S,8R,9S,10S,13R,14S)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoate CAS Name: (3R,5R)-7-[4-[anilino(oxo)methyl]-2-(4-fluorophenyl)-3-phenyl-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoic acid [(5S,8R,9S,10S,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-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 IUPAC Name: [(5S,8R,9S,10S,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate Traditional Name: (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-enanthic acid [(5S,8R,9S,10S,13R,14S)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-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 Formula: C62H85FN2O5 MolecularWeight: 957.347103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)CC(CC(CCN5C(=C(C(=C5C(C)C)C(=O)NC6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)F)O)O)C)C)C(C)C

Isomeric SMILES

CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(C4)OC(=O)C[C@@H](C[C@@H](CCN5C(=C(C(=C5C(C)C)C(=O)NC6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)F)O)O)C)C)C(C)C

InChI

InChI=1S/C62H85FN2O5/c1-9-42(39(2)3)21-20-41(6)52-28-29-53-51-27-24-45-36-50(30-33-61(45,7)54(51)31-34-62(52,53)8)70-55(68)38-49(67)37-48(66)32-35-65-58(40(4)5)57(60(69)64-47-18-14-11-15-19-47)56(43-16-12-10-13-17-43)59(65)44-22-25-46(63)26-23-44/h10-19,22-23,25-26,39-42,45,48-54,66-67H,9,20-21,24,27-38H2,1-8H3,(H,64,69)/t41-,42-,45+,48-,49-,50?,51+,52?,53+,54+,61+,62-/m1/s1