tert-butyl (3R)-3-[[6-(3,3,3-triphenylpropanoylamino)hexanoylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-[[6-(3,3,3-triphenylpropanoylamino)hexanoylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3R)-3-[[6-(3,3,3-triphenylpropanoylamino)hexanoylamino]methyl]piperidine-1-carboxylate CAS Name: (3R)-3-[[[1-oxo-6-[(1-oxo-3,3,3-triphenylpropyl)amino]hexyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[[6-(3,3,3-triphenylpropanoylamino)hexanoylamino]methyl]piperidine-1-carboxylate Traditional Name: (3R)-3-[[6-(3,3,3-triphenylpropanoylamino)hexanoylamino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C38H49N3O4 MolecularWeight: 611.81336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)CCCCCNC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)CNC(=O)CCCCCNC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C38H49N3O4/c1-37(2,3)45-36(44)41-26-16-17-30(29-41)28-40-34(42)24-14-7-15-25-39-35(43)27-38(31-18-8-4-9-19-31,32-20-10-5-11-21-32)33-22-12-6-13-23-33/h4-6,8-13,18-23,30H,7,14-17,24-29H2,1-3H3,(H,39,43)(H,40,42)/t30-/m1/s1