(2S)-2-[(2-methyl-3-oxidanyl-5-phosphonooxy-pyridin-4-yl)methylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[(2-methyl-3-oxidanyl-5-phosphonooxy-pyridin-4-yl)methylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-3-hydroxy-2-[(3-hydroxy-2-methyl-5-phosphonooxy-4-pyridyl)methylamino]propanoic acid CAS Name: (2S)-3-hydroxy-2-[(3-hydroxy-2-methyl-5-phosphonooxy-4-pyridinyl)methylamino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[(3-hydroxy-2-methyl-5-phosphonooxypyridin-4-yl)methylamino]propanoic acid Traditional Name: (2S)-3-hydroxy-2-[(3-hydroxy-2-methyl-5-phosphonooxy-4-pyridyl)methylamino]propionic acid Formula: C10H15N2O8P MolecularWeight: 322.208461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(CO)C(=O)O)OP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CN[C@@H](CO)C(=O)O)OP(=O)(O)O

InChI

InChI=1S/C10H15N2O8P/c1-5-9(14)6(2-12-7(4-13)10(15)16)8(3-11-5)20-21(17,18)19/h3,7,12-14H,2,4H2,1H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1