2-methyl-6-[(5-methyl-6-oxidanyl-6-oxidanylidene-5-phenyl-hexyl)carbamothioylamino]-2-phenyl-hexanoic acid

Systemtic Name: 2-methyl-6-[(5-methyl-6-oxidanyl-6-oxidanylidene-5-phenyl-hexyl)carbamothioylamino]-2-phenyl-hexanoic acid Openeye Name: 6-[(6-hydroxy-5-methyl-6-oxo-5-phenyl-hexyl)carbamothioylamino]-2-methyl-2-phenyl-hexanoic acid CAS Name: 6-[[[(6-hydroxy-5-methyl-6-oxo-5-phenylhexyl)amino]-sulfanylidenemethyl]amino]-2-methyl-2-phenylhexanoic acid IUPAC Name: 6-[(6-hydroxy-5-methyl-6-oxo-5-phenylhexyl)carbamothioylamino]-2-methyl-2-phenylhexanoic acid Traditional Name: 6-[(6-hydroxy-6-keto-5-methyl-5-phenyl-hexyl)thiocarbamoylamino]-2-methyl-2-phenyl-hexanoic acid Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCNC(=S)NCCCCC(C)(C1=CC=CC=C1)C(=O)O)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CCCCNC(=S)NCCCCC(C)(C1=CC=CC=C1)C(=O)O)(C2=CC=CC=C2)C(=O)O

InChI

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