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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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