tert-butyl 2-[2,3-bis(oxidanyl)propyl-(2-methanethioyl-3-phenyl-propanoyl)amino]hexanoate

Systemtic Name: tert-butyl 2-[2,3-bis(oxidanyl)propyl-(2-methanethioyl-3-phenyl-propanoyl)amino]hexanoate Openeye Name: tert-butyl 2-[(2-benzyl-3-thioxo-propanoyl)-(2,3-dihydroxypropyl)amino]hexanoate CAS Name: 2-[2,3-dihydroxypropyl-(2-methanethioyl-1-oxo-3-phenylpropyl)amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-benzyl-3-sulfanylidenepropanoyl)-(2,3-dihydroxypropyl)amino]hexanoate Traditional Name: 2-[(2-benzyl-3-thioxo-propanoyl)-glyceryl-amino]hexanoic acid tert-butyl ester Formula: C23H35NO5S MolecularWeight: 437.5927

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)N(CC(CO)O)C(=O)C(CC1=CC=CC=C1)C=S

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)N(CC(CO)O)C(=O)C(CC1=CC=CC=C1)C=S

InChI

InChI=1S/C23H35NO5S/c1-5-6-12-20(22(28)29-23(2,3)4)24(14-19(26)15-25)21(27)18(16-30)13-17-10-8-7-9-11-17/h7-11,16,18-20,25-26H,5-6,12-15H2,1-4H3