3-(6-azanylpyridin-3-yl)-4-phenyl-2-(sulfanylmethyl)butanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-4-phenyl-2-(sulfanylmethyl)butanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-4-phenyl-2-(sulfanylmethyl)butanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-(mercaptomethyl)-4-phenylbutanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-4-phenyl-2-(sulfanylmethyl)butanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-(mercaptomethyl)-4-phenyl-butyric acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c17-15-7-6-12(9-18-15)13(14(10-21)16(19)20)8-11-4-2-1-3-5-11/h1-7,9,13-14,21H,8,10H2,(H2,17,18)(H,19,20)