tert-butyl (2R)-2-[[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyridin-1-yl)-2-azido-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: tert-butyl (2R)-2-[[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyridin-1-yl)-2-azido-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate Openeye Name: tert-butyl (2R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyridyl)-2-azido-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate CAS Name: (2R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyridinyl)-2-azido-3,4-dihydroxy-2-oxolanyl]methoxy-phenoxyphosphoryl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyridin-1-yl)-2-azido-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate Traditional Name: (2R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-keto-1-pyridyl)-2-azido-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propionic acid tert-butyl ester Formula: C23H31N6O9P MolecularWeight: 566.500801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NP(=O)(OCC1(C(C(C(O1)N2C=CC(=CC2=O)N)O)O)N=[N+]=[N-])OC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC(C)(C)C)NP(=O)(OC[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=CC2=O)N)O)O)N=[N+]=[N-])OC3=CC=CC=C3

InChI

InChI=1S/C23H31N6O9P/c1-14(21(33)37-22(2,3)4)26-39(34,38-16-8-6-5-7-9-16)35-13-23(27-28-25)19(32)18(31)20(36-23)29-11-10-15(24)12-17(29)30/h5-12,14,18-20,31-32H,13,24H2,1-4H3,(H,26,34)/t14-,18-,19+,20-,23-,39?/m1/s1