[(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-(2-morpholin-4-ylethylamino)-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-(2-morpholin-4-ylethylamino)-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-(2-morpholinoethylamino)-4-oxo-butanoate CAS Name: 4-[2-(4-morpholinyl)ethylamino]-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-(2-morpholin-4-ylethylamino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-morpholinoethylamino)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: C37H62N2O4 MolecularWeight: 598.89918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)NCCN5CCOCC5)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)NCCN5CCOCC5)C)C

InChI

InChI=1S/C37H62N2O4/c1-26(2)7-6-8-27(3)31-11-12-32-30-10-9-28-25-29(15-17-36(28,4)33(30)16-18-37(31,32)5)43-35(41)14-13-34(40)38-19-20-39-21-23-42-24-22-39/h9,26-27,29-33H,6-8,10-25H2,1-5H3,(H,38,40)/t27-,29+,30+,31-,32+,33+,36+,37-/m1/s1