[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorobenzoyl)nipecotic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26ClN3O5 MolecularWeight: 423.89054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H26ClN3O5/c1-12(2)22-20(28)23-17(25)13(3)29-19(27)15-5-4-10-24(11-15)18(26)14-6-8-16(21)9-7-14/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H2,22,23,25,28)/t13-,15-/m0/s1