tert-butyl 4-[[1-oxidanylidene-1-(1-oxidanylidenepentan-2-ylamino)-3-phenyl-propan-2-yl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-oxidanylidene-1-(1-oxidanylidenepentan-2-ylamino)-3-phenyl-propan-2-yl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[1-benzyl-2-(1-formylbutylamino)-2-oxo-ethyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[[1-oxo-1-(1-oxopentan-2-ylamino)-3-phenylpropan-2-yl]amino]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-oxo-1-(1-oxopentan-2-ylamino)-3-phenylpropan-2-yl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[1-benzyl-2-(1-formylbutylamino)-2-keto-ethyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H36N4O5 MolecularWeight: 460.56644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=O)NC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C=O)NC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H36N4O5/c1-5-9-19(17-29)25-21(30)20(16-18-10-7-6-8-11-18)26-22(31)27-12-14-28(15-13-27)23(32)33-24(2,3)4/h6-8,10-11,17,19-20H,5,9,12-16H2,1-4H3,(H,25,30)(H,26,31)