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

Systemtic Name: 3-methyl-6-[(4-methyl-6-oxidanyl-4-phenyl-hexyl)carbamothioylamino]-3-phenyl-hexanoic acid Openeye Name: 6-[(6-hydroxy-4-methyl-4-phenyl-hexyl)carbamothioylamino]-3-methyl-3-phenyl-hexanoic acid CAS Name: 6-[[[(6-hydroxy-4-methyl-4-phenylhexyl)amino]-sulfanylidenemethyl]amino]-3-methyl-3-phenylhexanoic acid IUPAC Name: 6-[(6-hydroxy-4-methyl-4-phenylhexyl)carbamothioylamino]-3-methyl-3-phenylhexanoic acid Traditional Name: 6-[(6-hydroxy-4-methyl-4-phenyl-hexyl)thiocarbamoylamino]-3-methyl-3-phenyl-hexanoic acid Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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