[[(1R,2R,3S,4R)-4-(7-azanylimidazo[4,5-b]pyridin-3-yl)-3-oxidanyl-2-[tris(oxidanyl)methoxy]cyclopentyl]methoxy-methyl-phosphoryl] [(3R)-2,2-dimethyl-4-[[3-(3-nitropropylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate

Systemtic Name: [[(1R,2R,3S,4R)-4-(7-azanylimidazo[4,5-b]pyridin-3-yl)-3-oxidanyl-2-[tris(oxidanyl)methoxy]cyclopentyl]methoxy-methyl-phosphoryl] [(3R)-2,2-dimethyl-4-[[3-(3-nitropropylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate Openeye Name: [[(1R,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(trihydroxymethoxy)cyclopentyl]methoxy-methyl-phosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-[[3-(3-nitropropylamino)-3-oxo-propyl]amino]-4-oxo-butyl] hydrogen phosphate CAS Name: [[(1R,2R,3S,4R)-4-(7-amino-3-imidazo[4,5-b]pyridinyl)-3-hydroxy-2-(trihydroxymethoxy)cyclopentyl]methoxy-methylphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-[[3-(3-nitropropylamino)-3-oxopropyl]amino]-4-oxobutyl] hydrogen phosphate IUPAC Name: [[(1R,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(trihydroxymethoxy)cyclopentyl]methoxy-methylphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-[[3-(3-nitropropylamino)-3-oxopropyl]amino]-4-oxobutyl] hydrogen phosphate Traditional Name: [[(1R,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(trihydroxymethoxy)cyclopentyl]methoxy-methyl-phosphoryl] [(3R)-3-hydroxy-4-keto-4-[[3-keto-3-(3-nitropropylamino)propyl]amino]-2,2-dimethyl-butyl] hydrogen phosphate Formula: C26H43N7O16P2 MolecularWeight: 771.604442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COP(=O)(O)OP(=O)(C)OCC1CC(C(C1OC(O)(O)O)O)N2C=NC3=C(C=CN=C32)N)C(C(=O)NCCC(=O)NCCC[N+](=O)[O-])O

Isomeric SMILES

CC(C)(COP(=O)(O)O[P@@](=O)(C)OC[C@H]1C[C@H]([C@@H]([C@@H]1OC(O)(O)O)O)N2C=NC3=C(C=CN=C32)N)[C@H](C(=O)NCCC(=O)NCCC[N+](=O)[O-])O

InChI

InChI=1S/C26H43N7O16P2/c1-25(2,22(36)24(37)30-9-6-18(34)28-7-4-10-33(41)42)13-47-51(44,45)49-50(3,43)46-12-15-11-17(20(35)21(15)48-26(38,39)40)32-14-31-19-16(27)5-8-29-23(19)32/h5,8,14-15,17,20-22,35-36,38-40H,4,6-7,9-13H2,1-3H3,(H2,27,29)(H,28,34)(H,30,37)(H,44,45)/t15-,17-,20+,21-,22+,50-/m1/s1