4-[[3-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxidanylidene-propyl]-[nitroso(oxidanidyl)amino]amino]butylazanium

Systemtic Name: 4-[[3-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxidanylidene-propyl]-[nitroso(oxidanidyl)amino]amino]butylazanium Openeye Name: 4-[[3-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxo-propyl]-[nitroso(oxido)amino]amino]butylammonium CAS Name: 4-[[3-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropyl]-[nitroso(oxido)amino]amino]butylammonium IUPAC Name: 4-[[3-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropyl]-[nitroso(oxido)amino]amino]butylazanium Traditional Name: 4-[[3-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-keto-propyl]-[nitroso(oxido)amino]amino]butylammonium Formula: C34H62N4O4 MolecularWeight: 590.88048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)CCN(CCCC[NH3+])N(N=O)[O-])C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)CCN(CCCC[NH3+])N(N=O)[O-])C)C

InChI

InChI=1S/C34H61N4O4/c1-24(2)9-8-10-25(3)29-13-14-30-28-12-11-26-23-27(15-18-33(26,4)31(28)16-19-34(29,30)5)42-32(39)17-22-37(38(41)36-40)21-7-6-20-35/h24-31H,6-23,35H2,1-5H3/q-1/p+1/t25-,26+,27+,28+,29-,30+,31+,33+,34-/m1/s1