methyl 2-[[2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-methyl-6-[(2-methyl-1-oxopropyl)amino]-3-(phenylmethyl)-4-benzimidazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-benzyl-6-(isobutyrylamino)-2-methyl-benzimidazole-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C26H32N4O4S/c1-16(2)24(31)28-19-13-20(25(32)29-21(11-12-35-5)26(33)34-4)23-22(14-19)27-17(3)30(23)15-18-9-7-6-8-10-18/h6-10,13-14,16,21H,11-12,15H2,1-5H3,(H,28,31)(H,29,32)