3-cyclopentyl-N-[2-[4-[[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-cyclopentyl-N-[2-[4-[[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-cyclopentyl-N-[2-[4-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]piperazin-1-yl]-2-oxo-ethyl]propanamide CAS Name: 3-cyclopentyl-N-[2-[4-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1-piperazinyl]-2-oxoethyl]propanamide IUPAC Name: 3-cyclopentyl-N-[2-[4-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]piperazin-1-yl]-2-oxoethyl]propanamide Traditional Name: 3-cyclopentyl-N-[2-[4-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]piperazino]-2-keto-ethyl]propionamide Formula: C33H49N3O4 MolecularWeight: 551.75986

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(CN4CCN(CC4)C(=O)CNC(=O)CCC5CCCC5)O)CCC6=C3C=CC(=C6)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CN4CCN(CC4)C(=O)CNC(=O)CCC5CCCC5)O)CCC6=C3C=CC(=C6)O

InChI

InChI=1S/C33H49N3O4/c1-32-14-12-27-26-10-8-25(37)20-24(26)7-9-28(27)29(32)13-15-33(32,40)22-35-16-18-36(19-17-35)31(39)21-34-30(38)11-6-23-4-2-3-5-23/h8,10,20,23,27-29,37,40H,2-7,9,11-19,21-22H2,1H3,(H,34,38)/t27-,28-,29+,32+,33-/m1/s1