[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(4-morpholin-4-ylbutylamino)-4-oxidanylidene-butanoate

Systemtic Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(4-morpholin-4-ylbutylamino)-4-oxidanylidene-butanoate Openeye Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(4-morpholinobutylamino)-4-oxo-butanoate CAS Name: 4-[4-(4-morpholinyl)butylamino]-4-oxobutanoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(4-morpholin-4-ylbutylamino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-morpholinobutylamino)butyric acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C39H66N2O4 MolecularWeight: 626.95234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)NCCCCN5CCOCC5)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)NCCCCN5CCOCC5)C)C

InChI

InChI=1S/C39H66N2O4/c1-28(2)9-8-10-29(3)33-13-14-34-32-12-11-30-27-31(17-19-38(30,4)35(32)18-20-39(33,34)5)45-37(43)16-15-36(42)40-21-6-7-22-41-23-25-44-26-24-41/h11,28-29,31-35H,6-10,12-27H2,1-5H3,(H,40,42)/t29-,31+,32+,33-,34+,35+,38+,39-/m1/s1