6-oxidanylidene-6-phenyl-4-(phenylcarbonyl)-2-(2-sulfanylethanoylamino)hexanoic acid

Systemtic Name: 6-oxidanylidene-6-phenyl-4-(phenylcarbonyl)-2-(2-sulfanylethanoylamino)hexanoic acid Openeye Name: 4-benzoyl-6-oxo-6-phenyl-2-[(2-sulfanylacetyl)amino]hexanoic acid CAS Name: 4-benzoyl-2-[(2-mercapto-1-oxoethyl)amino]-6-oxo-6-phenylhexanoic acid IUPAC Name: 4-benzoyl-6-oxo-6-phenyl-2-[(2-sulfanylacetyl)amino]hexanoic acid Traditional Name: 4-benzoyl-6-keto-2-[(2-mercaptoacetyl)amino]-6-phenyl-hexanoic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(CC(C(=O)O)NC(=O)CS)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(CC(C(=O)O)NC(=O)CS)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21NO5S/c23-18(14-7-3-1-4-8-14)12-16(20(25)15-9-5-2-6-10-15)11-17(21(26)27)22-19(24)13-28/h1-10,16-17,28H,11-13H2,(H,22,24)(H,26,27)