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

Systemtic Name: 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]butanoic acid Openeye Name: 4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-(4-hydroxy-4-oxo-butyl)amino]butanoic acid CAS Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(4-hydroxy-4-oxobutyl)amino]butanoic acid IUPAC Name: 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-(4-hydroxy-4-oxobutyl)amino]butanoic acid Traditional Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-(4-hydroxy-4-keto-butyl)amino]butyric acid Formula: C24H30N4O4S2 MolecularWeight: 502.6494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4S2/c1-17-20(16-34-24-26-18-6-2-3-7-19(18)27-24)25-11-10-21(17)33-15-14-28(12-4-8-22(29)30)13-5-9-23(31)32/h2-3,6-7,10-11H,4-5,8-9,12-16H2,1H3,(H,26,27)(H,29,30)(H,31,32)