[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C[C@H](C2=CC=CC=C2)NC(=O)C)C

InChI

InChI=1S/C22H25N3O5/c1-14-9-10-18(15(2)11-14)24-22(29)25-20(27)13-30-21(28)12-19(23-16(3)26)17-7-5-4-6-8-17/h4-11,19H,12-13H2,1-3H3,(H,23,26)(H2,24,25,27,29)/t19-/m1/s1