methyl 2-[[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[7-acetamido-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[7-acetamido-1-[2-(2-pyridinyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazole-5-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[7-acetamido-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=N3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=N3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C23H27N5O4S/c1-15(29)26-20-13-16(22(30)27-18(8-11-33-3)23(31)32-2)12-19-21(20)28(14-25-19)10-7-17-6-4-5-9-24-17/h4-6,9,12-14,18H,7-8,10-11H2,1-3H3,(H,26,29)(H,27,30)