methyl (2R)-2-[[7-(2-methoxyethanoylamino)-1-phenethyl-benzimidazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[7-(2-methoxyethanoylamino)-1-phenethyl-benzimidazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[7-[(2-methoxyacetyl)amino]-1-phenethyl-benzimidazole-5-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[7-[(2-methoxy-1-oxoethyl)amino]-1-phenethyl-5-benzimidazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[7-[(2-methoxyacetyl)amino]-1-phenethylbenzimidazole-5-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[7-[(2-methoxyacetyl)amino]-1-phenethyl-benzimidazole-5-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COCC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=C3)C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C25H30N4O5S/c1-33-15-22(30)27-21-14-18(24(31)28-19(10-12-35-3)25(32)34-2)13-20-23(21)29(16-26-20)11-9-17-7-5-4-6-8-17/h4-8,13-14,16,19H,9-12,15H2,1-3H3,(H,27,30)(H,28,31)/t19-/m1/s1