O1-tert-butyl O4-(phenylmethyl) (2S)-2-(tert-butylcarbamoyl)piperazine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) (2S)-2-(tert-butylcarbamoyl)piperazine-1,4-dicarboxylate Openeye Name: O4-benzyl O1-tert-butyl (2S)-2-(tert-butylcarbamoyl)piperazine-1,4-dicarboxylate CAS Name: (2S)-2-[(tert-butylamino)-oxomethyl]piperazine-1,4-dicarboxylic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl (2S)-2-(tert-butylcarbamoyl)piperazine-1,4-dicarboxylate Traditional Name: (2S)-2-(tert-butylcarbamoyl)piperazine-1,4-dicarboxylic acid O4-benzyl ester O1-tert-butyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H33N3O5/c1-21(2,3)23-18(26)17-14-24(12-13-25(17)20(28)30-22(4,5)6)19(27)29-15-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3,(H,23,26)/t17-/m0/s1