2-[[(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]amino]-N-methyl-N-[11-[(7R,8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]undecyl]ethanamide

Systemtic Name: 2-[[(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]amino]-N-methyl-N-[11-[(7R,8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]undecyl]ethanamide Openeye Name: N-[11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]undecyl]-2-[[(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]amino]-N-methyl-acetamide CAS Name: N-[11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]undecyl]-2-[[(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]amino]-N-methylacetamide IUPAC Name: N-[11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]undecyl]-2-[[(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]amino]-N-methylacetamide Traditional Name: N-[11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]undecyl]-2-[[(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]amino]-N-methyl-acetamide Formula: C59H96N2O3 MolecularWeight: 881.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)NCC(=O)N(C)CCCCCCCCCCCC5CC6=C(C=CC(=C6)O)C7C5C8CCC(C8(CC7)C)O)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)NCC(=O)N(C)CCCCCCCCCCC[C@@H]5CC6=C(C=CC(=C6)O)[C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O)C)C

InChI

InChI=1S/C59H96N2O3/c1-40(2)18-17-19-41(3)50-25-26-51-49-23-21-44-38-45(29-32-57(44,4)52(49)31-34-58(50,51)5)60-39-55(64)61(7)35-16-14-12-10-8-9-11-13-15-20-42-36-43-37-46(62)22-24-47(43)48-30-33-59(6)53(56(42)48)27-28-54(59)63/h21-22,24,37,40-42,45,48-54,56,60,62-63H,8-20,23,25-36,38-39H2,1-7H3/t41-,42-,45+,48-,49+,50-,51+,52+,53+,54+,56-,57+,58-,59+/m1/s1