2-[2-(benzimidazol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(benzimidazol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(benzimidazol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(1-benzimidazolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(benzimidazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(benzimidazol-1-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1C=NC2=CC=CC=C21

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CN1C=NC2=CC=CC=C21

InChI

InChI=1S/C14H17N3O3S/c1-21-7-6-11(14(19)20)16-13(18)8-17-9-15-10-4-2-3-5-12(10)17/h2-5,9,11H,6-8H2,1H3,(H,16,18)(H,19,20)