5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]pentanoic acid

Systemtic Name: 5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]pentanoic acid Openeye Name: 5-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-(5-hydroxy-5-oxo-pentyl)amino]pentanoic acid CAS Name: 5-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(5-hydroxy-5-oxopentyl)amino]pentanoic acid IUPAC Name: 5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-(5-hydroxy-5-oxopentyl)amino]pentanoic acid Traditional Name: 5-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-(5-hydroxy-5-keto-pentyl)amino]valeric acid Formula: C26H34N4O4S2 MolecularWeight: 530.70256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4S2/c1-19-22(18-36-26-28-20-8-2-3-9-21(20)29-26)27-13-12-23(19)35-17-16-30(14-6-4-10-24(31)32)15-7-5-11-25(33)34/h2-3,8-9,12-13H,4-7,10-11,14-18H2,1H3,(H,28,29)(H,31,32)(H,33,34)