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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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