tert-butyl 2-(phenylmethoxycarbonylamino)-5-sulfanyl-pentanoate

Systemtic Name: tert-butyl 2-(phenylmethoxycarbonylamino)-5-sulfanyl-pentanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-5-sulfanyl-pentanoate CAS Name: 5-mercapto-2-(phenylmethoxycarbonylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(phenylmethoxycarbonylamino)-5-sulfanylpentanoate Traditional Name: 2-(benzyloxycarbonylamino)-5-mercapto-valeric acid tert-butyl ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCS)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)C(CCCS)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H25NO4S/c1-17(2,3)22-15(19)14(10-7-11-23)18-16(20)21-12-13-8-5-4-6-9-13/h4-6,8-9,14,23H,7,10-12H2,1-3H3,(H,18,20)