(2S)-5-azanyl-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-6-phosphono-pyridin-4-yl]methylamino]pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-6-phosphono-pyridin-4-yl]methylamino]pentanoic acid Openeye Name: (2S)-5-amino-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-6-phosphono-4-pyridyl]methylamino]pentanoic acid CAS Name: (2S)-5-amino-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-6-phosphono-4-pyridinyl]methylamino]pentanoic acid IUPAC Name: (2S)-5-amino-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-6-phosphonopyridin-4-yl]methylamino]pentanoic acid Traditional Name: (2S)-5-amino-2-[(3-hydroxy-2-methyl-5-methylol-6-phosphono-4-pyridyl)methylamino]valeric acid Formula: C13H22N3O7P MolecularWeight: 363.303441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)P(=O)(O)O)CO)CNC(CCCN)C(=O)O)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)P(=O)(O)O)CO)CN[C@@H](CCCN)C(=O)O)O

InChI

InChI=1S/C13H22N3O7P/c1-7-11(18)8(5-15-10(13(19)20)3-2-4-14)9(6-17)12(16-7)24(21,22)23/h10,15,17-18H,2-6,14H2,1H3,(H,19,20)(H2,21,22,23)/t10-/m0/s1