methyl 2-[[2-(methoxymethyl)-3-methyl-6-(2-phenylethanoylamino)benzimidazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(methoxymethyl)-3-methyl-6-(2-phenylethanoylamino)benzimidazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]benzimidazole-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-(methoxymethyl)-3-methyl-6-[(1-oxo-2-phenylethyl)amino]-4-benzimidazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]benzimidazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]benzimidazole-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)OC)COC

Isomeric SMILES

CN1C(=NC2=C1C(=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)OC)COC

InChI

InChI=1S/C25H30N4O5S/c1-29-21(15-33-2)27-20-14-17(26-22(30)12-16-8-6-5-7-9-16)13-18(23(20)29)24(31)28-19(10-11-35-4)25(32)34-3/h5-9,13-14,19H,10-12,15H2,1-4H3,(H,26,30)(H,28,31)