methyl (2R)-2-[[6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)benzimidazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)benzimidazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[6-acetamido-2-ethyl-3-(3-pyridylmethyl)benzimidazole-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[6-acetamido-2-ethyl-3-(3-pyridinylmethyl)-4-benzimidazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)benzimidazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[6-acetamido-2-ethyl-3-(3-pyridylmethyl)benzimidazole-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CN=CC=C3)C(=CC(=C2)NC(=O)C)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCC1=NC2=C(N1CC3=CN=CC=C3)C(=CC(=C2)NC(=O)C)C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C24H29N5O4S/c1-5-21-27-20-12-17(26-15(2)30)11-18(22(20)29(21)14-16-7-6-9-25-13-16)23(31)28-19(8-10-34-4)24(32)33-3/h6-7,9,11-13,19H,5,8,10,14H2,1-4H3,(H,26,30)(H,28,31)/t19-/m1/s1