tert-butyl 4-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-amino-2-hydroxy-4-phenyl-butyl)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate CAS Name: 4-(3-amino-2-hydroxy-4-phenylbutyl)-3-[(tert-butylamino)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-amino-2-hydroxy-4-phenylbutyl)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate Traditional Name: 4-(3-amino-2-hydroxy-4-phenyl-butyl)-3-(tert-butylcarbamoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H40N4O4 MolecularWeight: 448.5988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(C(CC2=CC=CC=C2)N)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)C1CN(CCN1CC(C(CC2=CC=CC=C2)N)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H40N4O4/c1-23(2,3)26-21(30)19-15-28(22(31)32-24(4,5)6)13-12-27(19)16-20(29)18(25)14-17-10-8-7-9-11-17/h7-11,18-20,29H,12-16,25H2,1-6H3,(H,26,30)