5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethylamino]pentanoic acid

Systemtic Name: 5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethylamino]pentanoic acid Openeye Name: 5-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethylamino]pentanoic acid CAS Name: 5-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethylamino]pentanoic acid IUPAC Name: 5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethylamino]pentanoic acid Traditional Name: 5-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethylamino]valeric acid Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCNCCCCC(=O)O

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCNCCCCC(=O)O

InChI

InChI=1S/C21H26N4O2S2/c1-15-18(14-29-21-24-16-6-2-3-7-17(16)25-21)23-11-9-19(15)28-13-12-22-10-5-4-8-20(26)27/h2-3,6-7,9,11,22H,4-5,8,10,12-14H2,1H3,(H,24,25)(H,26,27)