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

Systemtic Name: tert-butyl (2S)-2-[(2-bromophenyl)methyl]-4-[(2R)-4-methyl-1-oxidanyl-pentan-2-yl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(2-bromophenyl)methyl]-4-[(1R)-1-(hydroxymethyl)-3-methyl-butyl]-3-oxo-piperazine-1-carboxylate CAS Name: (2S)-2-[(2-bromophenyl)methyl]-4-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-bromophenyl)methyl]-4-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-oxopiperazine-1-carboxylate Traditional Name: (2S)-2-(2-bromobenzyl)-3-keto-4-[(1R)-3-methyl-1-methylol-butyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33BrN2O4 MolecularWeight: 469.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)N1CCN(C(C1=O)CC2=CC=CC=C2Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@H](CO)N1CCN([C@H](C1=O)CC2=CC=CC=C2Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33BrN2O4/c1-15(2)12-17(14-26)24-10-11-25(21(28)29-22(3,4)5)19(20(24)27)13-16-8-6-7-9-18(16)23/h6-9,15,17,19,26H,10-14H2,1-5H3/t17-,19+/m1/s1