2-[[[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[[(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-hydroxy-phosphoryl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxyphosphoryl]amino]-3-methylbutanoic acid Traditional Name: 2-[[[(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-hydroxy-phosphoryl]amino]-3-methyl-butyric acid Formula: C13H23N4O7P MolecularWeight: 378.318081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NP(=O)(COC(CN1C=CC(=NC1=O)N)CO)O

Isomeric SMILES

CC(C)C(C(=O)O)NP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O

InChI

InChI=1S/C13H23N4O7P/c1-8(2)11(12(19)20)16-25(22,23)7-24-9(6-18)5-17-4-3-10(14)15-13(17)21/h3-4,8-9,11,18H,5-7H2,1-2H3,(H,19,20)(H2,14,15,21)(H2,16,22,23)/t9-,11?/m0/s1