(2S)-2-(2-cyclohexylethanoylamino)-N-[(2S)-1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-(2-cyclohexylethanoylamino)-N-[(2S)-1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(1S)-1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]piperazine-1-carbonyl]-3-methyl-butyl]-4-methyl-pentanamide CAS Name: (2S)-2-[(2-cyclohexyl-1-oxoethyl)amino]-N-[(2S)-1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2S)-1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(1S)-1-[4-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]piperazine-1-carbonyl]-3-methyl-butyl]-4-methyl-valeramide Formula: C43H74N4O5 MolecularWeight: 727.07146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)N1CCN(CC1)C2CC3(C(CCC4C3CCC5(C4CCC5O)C)CC2O)C)NC(=O)CC6CCCCC6

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(CC1)[C@H]2C[C@]3([C@@H](CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5O)C)C[C@@H]2O)C)NC(=O)CC6CCCCC6

InChI

InChI=1S/C43H74N4O5/c1-27(2)22-34(44-39(50)24-29-10-8-7-9-11-29)40(51)45-35(23-28(3)4)41(52)47-20-18-46(19-21-47)36-26-43(6)30(25-37(36)48)12-13-31-32-14-15-38(49)42(32,5)17-16-33(31)43/h27-38,48-49H,7-26H2,1-6H3,(H,44,50)(H,45,51)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,42-,43-/m0/s1