[(1R,2R,3S,4R)-4-(4-azanylimidazo[4,5-c]pyridin-1-yl)-2,3-bis(oxidanyl)cyclopentyl]methoxy-N-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]phosphonamidic acid

Systemtic Name: [(1R,2R,3S,4R)-4-(4-azanylimidazo[4,5-c]pyridin-1-yl)-2,3-bis(oxidanyl)cyclopentyl]methoxy-N-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]phosphonamidic acid Openeye Name: [(1R,2R,3S,4R)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxy-cyclopentyl]methoxy-N-[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]phosphonamidic acid CAS Name: [(1R,2R,3S,4R)-4-(4-amino-1-imidazo[4,5-c]pyridinyl)-2,3-dihydroxycyclopentyl]methoxy-N-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]phosphonamidic acid IUPAC Name: [(1R,2R,3S,4R)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxycyclopentyl]methoxy-N-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]phosphonamidic acid Traditional Name: [(1R,2R,3S,4R)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxy-cyclopentyl]methoxy-N-[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]phosphonamidic acid Formula: C22H28N5O7P MolecularWeight: 505.460781

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OCC2CC(C(C2O)O)N3C=NC4=C3C=CN=C4N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NP(=O)(O)OC[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C3C=CN=C4N

InChI

InChI=1S/C22H28N5O7P/c1-33-22(30)15(9-13-5-3-2-4-6-13)26-35(31,32)34-11-14-10-17(20(29)19(14)28)27-12-25-18-16(27)7-8-24-21(18)23/h2-8,12,14-15,17,19-20,28-29H,9-11H2,1H3,(H2,23,24)(H2,26,31,32)/t14-,15+,17-,19-,20+/m1/s1