tert-butyl 2-[2-[[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanyl-ethanoyl]amino]phenyl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanyl-ethanoyl]amino]phenyl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[[2-(benzyloxycarbonylamino)-2-isopropylsulfanyl-acetyl]amino]benzoyl]piperidine-1-carboxylate CAS Name: 2-[oxo-[2-[[1-oxo-2-(phenylmethoxycarbonylamino)-2-(propan-2-ylthio)ethyl]amino]phenyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanylacetyl]amino]benzoyl]piperidine-1-carboxylate Traditional Name: 2-[2-[[2-(benzyloxycarbonylamino)-2-(isopropylthio)acetyl]amino]benzoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H39N3O6S MolecularWeight: 569.71216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)NC1=CC=CC=C1C(=O)C2CCCCN2C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC(C(=O)NC1=CC=CC=C1C(=O)C2CCCCN2C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H39N3O6S/c1-20(2)40-27(32-28(36)38-19-21-13-7-6-8-14-21)26(35)31-23-16-10-9-15-22(23)25(34)24-17-11-12-18-33(24)29(37)39-30(3,4)5/h6-10,13-16,20,24,27H,11-12,17-19H2,1-5H3,(H,31,35)(H,32,36)