methyl (2S)-2-[[6-(2-methoxyethanoylamino)-3-phenethyl-benzimidazol-4-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[6-(2-methoxyethanoylamino)-3-phenethyl-benzimidazol-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[6-[(2-methoxyacetyl)amino]-3-phenethyl-benzimidazole-4-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[6-[(2-methoxy-1-oxoethyl)amino]-3-phenethyl-4-benzimidazolyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[6-[(2-methoxyacetyl)amino]-3-phenethylbenzimidazole-4-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[6-[(2-methoxyacetyl)amino]-3-phenethyl-benzimidazole-4-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=C3)NC(=O)COC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=C3)NC(=O)COC

InChI

InChI=1S/C25H30N4O5/c1-16(2)22(25(32)34-4)28-24(31)19-12-18(27-21(30)14-33-3)13-20-23(19)29(15-26-20)11-10-17-8-6-5-7-9-17/h5-9,12-13,15-16,22H,10-11,14H2,1-4H3,(H,27,30)(H,28,31)/t22-/m0/s1