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

Systemtic Name: 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethylamino]propanoic acid Openeye Name: 3-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethylamino]propanoic acid CAS Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethylamino]propanoic acid IUPAC Name: 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethylamino]propanoic acid Traditional Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethylamino]propionic acid Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S2/c1-13-16(12-27-19-22-14-4-2-3-5-15(14)23-19)21-9-6-17(13)26-11-10-20-8-7-18(24)25/h2-6,9,20H,7-8,10-12H2,1H3,(H,22,23)(H,24,25)