tert-butyl (5R)-6-tert-butylsulfanyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: tert-butyl (5R)-6-tert-butylsulfanyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)hexanoate Openeye Name: tert-butyl (5R)-5-(benzyloxycarbonylamino)-6-tert-butylsulfanyl-4-oxo-hexanoate CAS Name: (5R)-6-(tert-butylthio)-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (5R)-6-tert-butylsulfanyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (5R)-5-(benzyloxycarbonylamino)-6-(tert-butylthio)-4-keto-hexanoic acid tert-butyl ester Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(=O)C(CSC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CCC(=O)[C@H](CSC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H33NO5S/c1-21(2,3)28-19(25)13-12-18(24)17(15-29-22(4,5)6)23-20(26)27-14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3,(H,23,26)/t17-/m0/s1