[(8R,9S,13S,14S,17S)-13-methyl-17-[[4-[(2S)-1-(2-methylpropanoyl)pyrrolidin-2-yl]carbonylpiperazin-1-yl]methyl]-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate

Systemtic Name: [(8R,9S,13S,14S,17S)-13-methyl-17-[[4-[(2S)-1-(2-methylpropanoyl)pyrrolidin-2-yl]carbonylpiperazin-1-yl]methyl]-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate Openeye Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-17-[[4-[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate CAS Name: sulfamic acid [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-17-[[4-[[(2S)-1-(2-methyl-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-17-[[4-[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate Traditional Name: sulfamic acid [(8R,9S,13S,14S,17S)-17-hydroxy-17-[[4-[(2S)-1-isobutyrylprolyl]piperazino]methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C32H48N4O6S MolecularWeight: 616.81172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC1C(=O)N2CCN(CC2)CC3(CCC4C3(CCC5C4CCC6=C5C=CC(=C6)OS(=O)(=O)N)C)O

Isomeric SMILES

CC(C)C(=O)N1CCC[C@H]1C(=O)N2CCN(CC2)C[C@@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6=C5C=CC(=C6)OS(=O)(=O)N)C)O

InChI

InChI=1S/C32H48N4O6S/c1-21(2)29(37)36-14-4-5-28(36)30(38)35-17-15-34(16-18-35)20-32(39)13-11-27-26-8-6-22-19-23(42-43(33,40)41)7-9-24(22)25(26)10-12-31(27,32)3/h7,9,19,21,25-28,39H,4-6,8,10-18,20H2,1-3H3,(H2,33,40,41)/t25-,26-,27+,28+,31+,32-/m1/s1