tert-butyl 3-[[3-(phenylmethoxycarbonylamino)propanoylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-(phenylmethoxycarbonylamino)propanoylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[3-(benzyloxycarbonylamino)propanoylamino]methyl]piperidine-1-carboxylate CAS Name: 3-[[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-(phenylmethoxycarbonylamino)propanoylamino]methyl]piperidine-1-carboxylate Traditional Name: 3-[[3-(benzyloxycarbonylamino)propanoylamino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)CCNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)CCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H33N3O5/c1-22(2,3)30-21(28)25-13-7-10-18(15-25)14-24-19(26)11-12-23-20(27)29-16-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-16H2,1-3H3,(H,23,27)(H,24,26)