(2S)-4-azanyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid Openeye Name: (2S)-4-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butanoic acid CAS Name: (2S)-4-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]butanoic acid IUPAC Name: (2S)-4-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid Traditional Name: (2S)-4-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butyric acid Formula: C12H20N3O7P MolecularWeight: 349.276861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(CCN)C(=O)O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CN[C@@H](CCN)C(=O)O)COP(=O)(O)O

InChI

InChI=1S/C12H20N3O7P/c1-7-11(16)9(5-15-10(2-3-13)12(17)18)8(4-14-7)6-22-23(19,20)21/h4,10,15-16H,2-3,5-6,13H2,1H3,(H,17,18)(H2,19,20,21)/t10-/m0/s1