methyl (2S)-2-[[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[7-acetamido-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[7-acetamido-1-[2-(2-pyridinyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[7-acetamido-1-(2-pyridin-2-ylethyl)benzimidazole-5-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[7-acetamido-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC2=C(C(=C1)NC(=O)C)N(C=N2)CCC3=CC=CC=N3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1=CC2=C(C(=C1)NC(=O)C)N(C=N2)CCC3=CC=CC=N3

InChI

InChI=1S/C23H27N5O4/c1-14(2)20(23(31)32-4)27-22(30)16-11-18-21(19(12-16)26-15(3)29)28(13-25-18)10-8-17-7-5-6-9-24-17/h5-7,9,11-14,20H,8,10H2,1-4H3,(H,26,29)(H,27,30)/t20-/m0/s1