4-methyl-8-[(5-methyl-8-oxidanyl-8-oxidanylidene-5-phenyl-octyl)carbamothioylamino]-4-phenyl-octanoic acid

Systemtic Name: 4-methyl-8-[(5-methyl-8-oxidanyl-8-oxidanylidene-5-phenyl-octyl)carbamothioylamino]-4-phenyl-octanoic acid Openeye Name: 8-[(8-hydroxy-5-methyl-8-oxo-5-phenyl-octyl)carbamothioylamino]-4-methyl-4-phenyl-octanoic acid CAS Name: 8-[[[(8-hydroxy-5-methyl-8-oxo-5-phenyloctyl)amino]-sulfanylidenemethyl]amino]-4-methyl-4-phenyloctanoic acid IUPAC Name: 8-[(8-hydroxy-5-methyl-8-oxo-5-phenyloctyl)carbamothioylamino]-4-methyl-4-phenyloctanoic acid Traditional Name: 8-[(8-hydroxy-8-keto-5-methyl-5-phenyl-octyl)thiocarbamoylamino]-4-methyl-4-phenyl-caprylic acid Formula: C31H44N2O4S MolecularWeight: 540.75706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2O4S/c1-30(21-17-27(34)35,25-13-5-3-6-14-25)19-9-11-23-32-29(38)33-24-12-10-20-31(2,22-18-28(36)37)26-15-7-4-8-16-26/h3-8,13-16H,9-12,17-24H2,1-2H3,(H,34,35)(H,36,37)(H2,32,33,38)