[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (3R)-3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (3R)-3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] (3R)-3-(4-chlorophenyl)-3-ureido-propanoate CAS Name: (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate Traditional Name: (3R)-3-(4-chlorophenyl)-3-ureido-propionic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C[C@H](C2=CC=C(C=C2)Cl)NC(=O)N

InChI

InChI=1S/C19H20ClN3O4/c1-12(18(25)22-15-5-3-2-4-6-15)27-17(24)11-16(23-19(21)26)13-7-9-14(20)10-8-13/h2-10,12,16H,11H2,1H3,(H,22,25)(H3,21,23,26)/t12-,16+/m0/s1