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

Systemtic Name: 2-azanyl-3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propanoic acid CAS Name: 2-amino-3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propionic acid Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCC(C(=O)O)N

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCC(C(=O)O)N

InChI

InChI=1S/C17H18N4O2S2/c1-10-14(19-7-6-15(10)24-8-11(18)16(22)23)9-25-17-20-12-4-2-3-5-13(12)21-17/h2-7,11H,8-9,18H2,1H3,(H,20,21)(H,22,23)