N-[(2S)-1-[[2-[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]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-butanamide

Systemtic Name: N-[(2S)-1-[[2-[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]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-butanamide Openeye Name: N-[(1S)-1-benzyl-2-[[2-[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]-2-oxo-ethyl]amino]-2-oxo-ethyl]-3-methyl-butanamide CAS Name: N-[(2S)-1-[[2-[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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide IUPAC Name: N-[(2S)-1-[[2-[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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide Traditional Name: N-[(1S)-1-benzyl-2-[[2-[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]piperazino]-2-keto-ethyl]amino]-2-keto-ethyl]-3-methyl-butyramide Formula: C39H60N4O5 MolecularWeight: 664.9175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)N2CCN(CC2)C3CC4(C(CCC5C4CCC6(C5CCC6O)C)CC3O)C

Isomeric SMILES

CC(C)CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N2CCN(CC2)[C@H]3C[C@]4([C@@H](CC[C@@H]5[C@@H]4CC[C@]6([C@H]5CC[C@@H]6O)C)C[C@@H]3O)C

InChI

InChI=1S/C39H60N4O5/c1-25(2)20-35(46)41-31(21-26-8-6-5-7-9-26)37(48)40-24-36(47)43-18-16-42(17-19-43)32-23-39(4)27(22-33(32)44)10-11-28-29-12-13-34(45)38(29,3)15-14-30(28)39/h5-9,25,27-34,44-45H,10-24H2,1-4H3,(H,40,48)(H,41,46)/t27-,28-,29-,30-,31-,32-,33-,34-,38-,39-/m0/s1