[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] (3S)-3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] (3S)-3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] (3S)-3-(4-chlorophenyl)-3-ureido-propanoate CAS Name: (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate Traditional Name: (3S)-3-(4-chlorophenyl)-3-ureido-propionic acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C16H17ClN4O4 MolecularWeight: 364.78358

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)N)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)N)N

InChI

InChI=1S/C16H17ClN4O4/c1-9(19)12(7-18)14(22)8-25-15(23)6-13(21-16(20)24)10-2-4-11(17)5-3-10/h2-5,12-13H,1,6,8,19H2,(H3,20,21,24)/t12-,13+/m1/s1