2-(6-azanylpyridin-3-yl)-4-[oxidanyl-(phenylmethyl)phosphoryl]butanoic acid

Systemtic Name: 2-(6-azanylpyridin-3-yl)-4-[oxidanyl-(phenylmethyl)phosphoryl]butanoic acid Openeye Name: 2-(6-amino-3-pyridyl)-4-[benzyl(hydroxy)phosphoryl]butanoic acid CAS Name: 2-(6-amino-3-pyridinyl)-4-[hydroxy-(phenylmethyl)phosphoryl]butanoic acid IUPAC Name: 2-(6-aminopyridin-3-yl)-4-[benzyl(hydroxy)phosphoryl]butanoic acid Traditional Name: 2-(6-amino-3-pyridyl)-4-[benzyl(hydroxy)phosphoryl]butyric acid Formula: C16H19N2O4P MolecularWeight: 334.306821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CP(=O)(CCC(C2=CN=C(C=C2)N)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CP(=O)(CCC(C2=CN=C(C=C2)N)C(=O)O)O

InChI

InChI=1S/C16H19N2O4P/c17-15-7-6-13(10-18-15)14(16(19)20)8-9-23(21,22)11-12-4-2-1-3-5-12/h1-7,10,14H,8-9,11H2,(H2,17,18)(H,19,20)(H,21,22)