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

Systemtic Name: 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]butanoic acid Openeye Name: 4-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-benzyl-amino]butanoic acid CAS Name: 4-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(phenylmethyl)amino]butanoic acid IUPAC Name: 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-benzylamino]butanoic acid Traditional Name: 4-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-benzyl-amino]butyric acid Formula: C28H32N4O2S2 MolecularWeight: 520.70928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O2S2/c1-21-25(20-36-28-30-23-11-5-6-12-24(23)31-28)29-15-14-26(21)35-18-8-17-32(16-7-13-27(33)34)19-22-9-3-2-4-10-22/h2-6,9-12,14-15H,7-8,13,16-20H2,1H3,(H,30,31)(H,33,34)