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

Systemtic Name: methyl (2S)-2-[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(3-methyl-2-oxo-1-benzimidazolyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(2-keto-3-methyl-benzimidazol-1-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O4/c1-23-17-10-6-7-11-18(17)24(21(23)27)13-12-19(25)22-16(20(26)28-2)14-15-8-4-3-5-9-15/h3-11,16H,12-14H2,1-2H3,(H,22,25)/t16-/m0/s1