tert-butyl 4,4-dimethyl-2-[2-[[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanyl-ethanoyl]amino]phenyl]carbonyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4,4-dimethyl-2-[2-[[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanyl-ethanoyl]amino]phenyl]carbonyl-piperidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[[2-(benzyloxycarbonylamino)-2-isopropylsulfanyl-acetyl]amino]benzoyl]-4,4-dimethyl-piperidine-1-carboxylate CAS Name: 4,4-dimethyl-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 4,4-dimethyl-2-[2-[[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanylacetyl]amino]benzoyl]piperidine-1-carboxylate Traditional Name: 2-[2-[[2-(benzyloxycarbonylamino)-2-(isopropylthio)acetyl]amino]benzoyl]-4,4-dimethyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C32H43N3O6S MolecularWeight: 597.76532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)NC1=CC=CC=C1C(=O)C2CC(CCN2C(=O)OC(C)(C)C)(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC(C(=O)NC1=CC=CC=C1C(=O)C2CC(CCN2C(=O)OC(C)(C)C)(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H43N3O6S/c1-21(2)42-28(34-29(38)40-20-22-13-9-8-10-14-22)27(37)33-24-16-12-11-15-23(24)26(36)25-19-32(6,7)17-18-35(25)30(39)41-31(3,4)5/h8-16,21,25,28H,17-20H2,1-7H3,(H,33,37)(H,34,38)