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

Systemtic Name: 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-benzyl-amino]acetic acid CAS Name: 2-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-benzylamino]acetic acid Traditional Name: 2-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-benzyl-amino]acetic acid Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2S2/c1-19-23(18-34-26-28-21-10-5-6-11-22(21)29-26)27-13-12-24(19)33-15-7-14-30(17-25(31)32)16-20-8-3-2-4-9-20/h2-6,8-13H,7,14-18H2,1H3,(H,28,29)(H,31,32)