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

Systemtic Name: 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]butanoic acid Openeye Name: 4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]butanoic acid CAS Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]butanoic acid IUPAC Name: 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]butanoic acid Traditional Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]butyric acid Formula: C27H30N4O2S2 MolecularWeight: 506.6827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O2S2/c1-20-24(19-35-27-29-22-10-5-6-11-23(22)30-27)28-14-13-25(20)34-17-16-31(15-7-12-26(32)33)18-21-8-3-2-4-9-21/h2-6,8-11,13-14H,7,12,15-19H2,1H3,(H,29,30)(H,32,33)