tert-butyl (2S)-4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-3-oxidanylidene-2-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-3-oxidanylidene-2-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-benzyl-4-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-3-oxo-piperazine-1-carboxylate CAS Name: (2S)-4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-oxo-2-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-benzyl-4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-oxopiperazine-1-carboxylate Traditional Name: (2S)-2-benzyl-3-keto-4-[(1S)-3-methyl-1-methylol-butyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)N1CCN(C(C1=O)CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](CO)N1CCN([C@H](C1=O)CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N2O4/c1-16(2)13-18(15-25)23-11-12-24(21(27)28-22(3,4)5)19(20(23)26)14-17-9-7-6-8-10-17/h6-10,16,18-19,25H,11-15H2,1-5H3/t18-,19-/m0/s1