3-methyl-6-[(4-methyl-6-oxidanyl-6-oxidanylidene-4-phenyl-hexyl)carbamothioylamino]-3-phenyl-hexanoic acid

Systemtic Name: 3-methyl-6-[(4-methyl-6-oxidanyl-6-oxidanylidene-4-phenyl-hexyl)carbamothioylamino]-3-phenyl-hexanoic acid Openeye Name: 6-[(6-hydroxy-4-methyl-6-oxo-4-phenyl-hexyl)carbamothioylamino]-3-methyl-3-phenyl-hexanoic acid CAS Name: 6-[[[(6-hydroxy-4-methyl-6-oxo-4-phenylhexyl)amino]-sulfanylidenemethyl]amino]-3-methyl-3-phenylhexanoic acid IUPAC Name: 6-[(6-hydroxy-4-methyl-6-oxo-4-phenylhexyl)carbamothioylamino]-3-methyl-3-phenylhexanoic acid Traditional Name: 6-[(6-hydroxy-6-keto-4-methyl-4-phenyl-hexyl)thiocarbamoylamino]-3-methyl-3-phenyl-hexanoic acid Formula: C27H36N2O4S MolecularWeight: 484.65074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(=S)NCCCC(C)(CC(=O)O)C1=CC=CC=C1)(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CCCNC(=S)NCCCC(C)(CC(=O)O)C1=CC=CC=C1)(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C27H36N2O4S/c1-26(19-23(30)31,21-11-5-3-6-12-21)15-9-17-28-25(34)29-18-10-16-27(2,20-24(32)33)22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-20H2,1-2H3,(H,30,31)(H,32,33)(H2,28,29,34)