[(2R)-1-azanylpropan-2-yl] [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate

Systemtic Name: [(2R)-1-azanylpropan-2-yl] [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate Openeye Name: [(1R)-2-amino-1-methyl-ethyl] [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [(2R)-1-aminopropan-2-yl] [(2R,3S,4R,5S)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2R)-1-aminopropan-2-yl] [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate Traditional Name: [(1R)-2-amino-1-methyl-ethyl] [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate Formula: C17H26N3O7P MolecularWeight: 415.378001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CN)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CN)O

InChI

InChI=1S/C17H26N3O7P/c1-9-4-12-13(5-10(9)2)20(8-19-12)17-15(22)16(14(7-21)25-17)27-28(23,24)26-11(3)6-18/h4-5,8,11,14-17,21-22H,6-7,18H2,1-3H3,(H,23,24)/t11-,14-,15-,16-,17+/m1/s1