3-[[(4R)-4-[(10S,13R,17R)-10,13-dimethyl-2-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl-dimethyl-(3-sulfopropyl)azanium

Systemtic Name: 3-[[(4R)-4-[(10S,13R,17R)-10,13-dimethyl-2-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl-dimethyl-(3-sulfopropyl)azanium Openeye Name: 3-[[(4R)-4-[(10S,13R,17R)-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl-dimethyl-(3-sulfopropyl)ammonium CAS Name: 3-[[(4R)-4-[(10S,13R,17R)-2-hydroxy-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]propyl-dimethyl-(3-sulfopropyl)ammonium IUPAC Name: 3-[[(4R)-4-[(10S,13R,17R)-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl-dimethyl-(3-sulfopropyl)azanium Traditional Name: 3-[[(4R)-4-[(10S,13R,17R)-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl-dimethyl-(3-sulfopropyl)ammonium Formula: C32H59N2O5S+ MolecularWeight: 583.88626

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CC(CC4)O)C)C

Isomeric SMILES

C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O)[C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC(CC4)O)C)C

InChI

InChI=1S/C32H58N2O5S/c1-23(8-15-30(36)33-18-6-19-34(4,5)20-7-21-40(37,38)39)27-13-14-28-26-12-10-24-9-11-25(35)22-32(24,3)29(26)16-17-31(27,28)2/h23-29,35H,6-22H2,1-5H3,(H-,33,36,37,38,39)/p+1/t23-,24?,25?,26?,27-,28?,29?,31-,32+/m1/s1