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

Systemtic Name: 2-methyl-6-[(5-methyl-6-oxidanyl-5-phenyl-hexyl)carbamothioylamino]-2-phenyl-hexanoic acid Openeye Name: 6-[(6-hydroxy-5-methyl-5-phenyl-hexyl)carbamothioylamino]-2-methyl-2-phenyl-hexanoic acid CAS Name: 6-[[[(6-hydroxy-5-methyl-5-phenylhexyl)amino]-sulfanylidenemethyl]amino]-2-methyl-2-phenylhexanoic acid IUPAC Name: 6-[(6-hydroxy-5-methyl-5-phenylhexyl)carbamothioylamino]-2-methyl-2-phenylhexanoic acid Traditional Name: 6-[(6-hydroxy-5-methyl-5-phenyl-hexyl)thiocarbamoylamino]-2-methyl-2-phenyl-hexanoic acid Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O3S/c1-26(21-30,22-13-5-3-6-14-22)17-9-11-19-28-25(33)29-20-12-10-18-27(2,24(31)32)23-15-7-4-8-16-23/h3-8,13-16,30H,9-12,17-21H2,1-2H3,(H,31,32)(H2,28,29,33)