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

Systemtic Name: 4-methyl-8-[(5-methyl-8-oxidanyl-5-phenyl-octyl)carbamothioylamino]-4-phenyl-octanoic acid Openeye Name: 8-[(8-hydroxy-5-methyl-5-phenyl-octyl)carbamothioylamino]-4-methyl-4-phenyl-octanoic acid CAS Name: 8-[[[(8-hydroxy-5-methyl-5-phenyloctyl)amino]-sulfanylidenemethyl]amino]-4-methyl-4-phenyloctanoic acid IUPAC Name: 8-[(8-hydroxy-5-methyl-5-phenyloctyl)carbamothioylamino]-4-methyl-4-phenyloctanoic acid Traditional Name: 8-[(8-hydroxy-5-methyl-5-phenyl-octyl)thiocarbamoylamino]-4-methyl-4-phenyl-caprylic acid Formula: C31H46N2O3S MolecularWeight: 526.77354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N2O3S/c1-30(21-13-25-34,26-14-5-3-6-15-26)19-9-11-23-32-29(37)33-24-12-10-20-31(2,22-18-28(35)36)27-16-7-4-8-17-27/h3-8,14-17,34H,9-13,18-25H2,1-2H3,(H,35,36)(H2,32,33,37)