3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(2-carboxyethyl)amino]propanoic acid

Systemtic Name: 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(2-carboxyethyl)amino]propanoic acid Openeye Name: 3-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-(2-carboxyethyl)amino]propanoic acid CAS Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(2-carboxyethyl)amino]propanoic acid IUPAC Name: 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-(2-carboxyethyl)amino]propanoic acid Traditional Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-(2-carboxyethyl)amino]propionic acid Formula: C22H26N4O4S2 MolecularWeight: 474.59624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C22H26N4O4S2/c1-15-18(14-32-22-24-16-4-2-3-5-17(16)25-22)23-9-6-19(15)31-13-12-26(10-7-20(27)28)11-8-21(29)30/h2-6,9H,7-8,10-14H2,1H3,(H,24,25)(H,27,28)(H,29,30)