(phenylmethyl) (2S)-2-[[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-ethoxy-phosphoryl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-ethoxy-phosphoryl]amino]propanoate Openeye Name: benzyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-ethoxy-phosphoryl]amino]propanoate CAS Name: (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-ethoxyphosphoryl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]propanoate Traditional Name: (2S)-2-[[[(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-ethoxy-phosphoryl]amino]propionic acid benzyl ester Formula: C22H29N6O8P MolecularWeight: 536.474821

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NC(C)C(=O)OCC1=CC=CC=C1)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)N=[N+]=[N-]

Isomeric SMILES

CCOP(=O)(N[C@@H](C)C(=O)OCC1=CC=CC=C1)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)N=[N+]=[N-]

InChI

InChI=1S/C22H29N6O8P/c1-4-34-37(32,26-15(3)21(30)33-12-16-8-6-5-7-9-16)35-13-18-17(25-27-23)10-19(36-18)28-11-14(2)20(29)24-22(28)31/h5-9,11,15,17-19H,4,10,12-13H2,1-3H3,(H,26,32)(H,24,29,31)/t15-,17-,18+,19+,37?/m0/s1