methyl (2S)-2-[3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-(3-ethyl-2-oxo-benzimidazol-1-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(3-ethyl-2-oxo-1-benzimidazolyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(3-ethyl-2-keto-benzimidazol-1-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O4/c1-3-24-18-11-7-8-12-19(18)25(22(24)28)14-13-20(26)23-17(21(27)29-2)15-16-9-5-4-6-10-16/h4-12,17H,3,13-15H2,1-2H3,(H,23,26)/t17-/m0/s1