methyl (2S)-2-[[[(2R,3S,5R)-3-fluoranyl-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[[(2R,3S,5R)-3-fluoranyl-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate Openeye Name: methyl (2S)-2-[[[(2R,3S,5R)-3-fluoro-5-[6-(methylamino)purin-9-yl]tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate CAS Name: (2S)-2-[[[(2R,3S,5R)-3-fluoro-5-[6-(methylamino)-9-purinyl]-2-oxolanyl]methoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[[(2R,3S,5R)-3-fluoro-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate Traditional Name: (2S)-2-[[[(2R,3S,5R)-3-fluoro-5-[6-(methylamino)purin-9-yl]tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propionic acid methyl ester Formula: C21H26FN6O6P MolecularWeight: 508.439904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=O)(OCC1C(CC(O1)N2C=NC3=C2N=CN=C3NC)F)OC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3NC)F)OC4=CC=CC=C4

InChI

InChI=1S/C21H26FN6O6P/c1-13(21(29)31-3)27-35(30,34-14-7-5-4-6-8-14)32-10-16-15(22)9-17(33-16)28-12-26-18-19(23-2)24-11-25-20(18)28/h4-8,11-13,15-17H,9-10H2,1-3H3,(H,27,30)(H,23,24,25)/t13-,15-,16+,17+,35?/m0/s1