[(1S)-2-oxidanylidenecyclohexyl] (3S)-3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (3S)-3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate Openeye Name: [(1S)-2-oxocyclohexyl] (3S)-3-(4-chlorophenyl)-3-ureido-propanoate CAS Name: (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate Traditional Name: (3S)-3-(4-chlorophenyl)-3-ureido-propionic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)N

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C[C@@H](C2=CC=C(C=C2)Cl)NC(=O)N

InChI

InChI=1S/C16H19ClN2O4/c17-11-7-5-10(6-8-11)12(19-16(18)22)9-15(21)23-14-4-2-1-3-13(14)20/h5-8,12,14H,1-4,9H2,(H3,18,19,22)/t12-,14-/m0/s1