2-methyl-4-[(3-methyl-4-oxidanyl-4-oxidanylidene-3-phenyl-butyl)carbamothioylamino]-2-phenyl-butanoic acid

Systemtic Name: 2-methyl-4-[(3-methyl-4-oxidanyl-4-oxidanylidene-3-phenyl-butyl)carbamothioylamino]-2-phenyl-butanoic acid Openeye Name: 4-[(4-hydroxy-3-methyl-4-oxo-3-phenyl-butyl)carbamothioylamino]-2-methyl-2-phenyl-butanoic acid CAS Name: 4-[[[(4-hydroxy-3-methyl-4-oxo-3-phenylbutyl)amino]-sulfanylidenemethyl]amino]-2-methyl-2-phenylbutanoic acid IUPAC Name: 4-[(4-hydroxy-3-methyl-4-oxo-3-phenylbutyl)carbamothioylamino]-2-methyl-2-phenylbutanoic acid Traditional Name: 4-[(4-hydroxy-4-keto-3-methyl-3-phenyl-butyl)thiocarbamoylamino]-2-methyl-2-phenyl-butyric acid Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=S)NCCC(C)(C1=CC=CC=C1)C(=O)O)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CCNC(=S)NCCC(C)(C1=CC=CC=C1)C(=O)O)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H28N2O4S/c1-22(19(26)27,17-9-5-3-6-10-17)13-15-24-21(30)25-16-14-23(2,20(28)29)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,26,27)(H,28,29)(H2,24,25,30)