[(2R)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2R)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid [(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [(1R)-2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CCNC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)CCNC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C21H25N3O4/c1-14-9-10-18(15(2)13-14)24-20(26)16(3)28-19(25)11-12-22-21(27)23-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,24,26)(H2,22,23,27)/t16-/m1/s1