3-[2-[4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]propan-2-yl-dimethyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[2-[4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]propan-2-yl-dimethyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[[1-[4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]-1-methyl-ethyl]-dimethyl-ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[2-[[4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-oxopentyl]amino]propan-2-yl-dimethylammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[2-[4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]propan-2-yl-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[[1-[4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]-1-methyl-ethyl]-dimethyl-ammonio]-2-hydroxy-propane-1-sulfonate Formula: C32H58N2O5S MolecularWeight: 582.87832

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC(C)(C)[N+](C)(C)CC(CS(=O)(=O)[O-])O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

Isomeric SMILES

CC(CCC(=O)NC(C)(C)[N+](C)(C)CC(CS(=O)(=O)[O-])O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

InChI

InChI=1S/C32H58N2O5S/c1-22(11-16-29(36)33-30(2,3)34(6,7)20-24(35)21-40(37,38)39)26-14-15-27-25-13-12-23-10-8-9-18-31(23,4)28(25)17-19-32(26,27)5/h22-28,35H,8-21H2,1-7H3,(H-,33,36,37,38,39)