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

Systemtic Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]acetic acid CAS Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]acetic acid Traditional Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]acetic acid Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H26N4O2S2/c1-18-22(17-33-25-27-20-9-5-6-10-21(20)28-25)26-12-11-23(18)32-14-13-29(16-24(30)31)15-19-7-3-2-4-8-19/h2-12H,13-17H2,1H3,(H,27,28)(H,30,31)