2-[1H-benzimidazol-2-ylcarbonyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[1H-benzimidazol-2-ylcarbonyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-(1H-benzimidazole-2-carbonyl)amino]acetic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-[1H-benzimidazol-2-yl(oxo)methyl]amino]acetic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-(1H-benzimidazole-2-carbonyl)amino]acetic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-(1H-benzimidazole-2-carbonyl)amino]acetic acid Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CC(=O)O)C(=O)C1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CC(=O)O)C(=O)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C16H17N3O5S/c1-9(8-25-10(2)20)15(23)19(7-13(21)22)16(24)14-17-11-5-3-4-6-12(11)18-14/h3-6,9H,7-8H2,1-2H3,(H,17,18)(H,21,22)