2-azanyl-3-[6-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-pyridyl]propanoic acid CAS Name: 2-amino-3-[6-[(1H-benzimidazol-2-ylthio)methyl]-2-pyridinyl]propanoic acid IUPAC Name: 2-amino-3-[6-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-[(1H-benzimidazol-2-ylthio)methyl]-2-pyridyl]propionic acid Formula: C16H16N4O2S MolecularWeight: 328.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=CC(=N3)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=CC(=N3)CC(C(=O)O)N

InChI

InChI=1S/C16H16N4O2S/c17-12(15(21)22)8-10-4-3-5-11(18-10)9-23-16-19-13-6-1-2-7-14(13)20-16/h1-7,12H,8-9,17H2,(H,19,20)(H,21,22)