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

Systemtic Name: 5-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]pentanoic acid Openeye Name: 5-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-benzyl-amino]pentanoic acid CAS Name: 5-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(phenylmethyl)amino]pentanoic acid IUPAC Name: 5-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-benzylamino]pentanoic acid Traditional Name: 5-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-benzyl-amino]valeric acid Formula: C29H34N4O2S2 MolecularWeight: 534.73586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O2S2/c1-22-26(21-37-29-31-24-12-5-6-13-25(24)32-29)30-16-15-27(22)36-19-9-18-33(17-8-7-14-28(34)35)20-23-10-3-2-4-11-23/h2-6,10-13,15-16H,7-9,14,17-21H2,1H3,(H,31,32)(H,34,35)