3-(6-azanylpyridin-3-yl)-3-phenyl-2-(sulfanylmethyl)propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-3-phenyl-2-(sulfanylmethyl)propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-3-phenyl-2-(sulfanylmethyl)propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-(mercaptomethyl)-3-phenylpropanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-3-phenyl-2-(sulfanylmethyl)propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-(mercaptomethyl)-3-phenyl-propionic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CN=C(C=C2)N)C(CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CN=C(C=C2)N)C(CS)C(=O)O

InChI

InChI=1S/C15H16N2O2S/c16-13-7-6-11(8-17-13)14(12(9-20)15(18)19)10-4-2-1-3-5-10/h1-8,12,14,20H,9H2,(H2,16,17)(H,18,19)