3-methyl-7-[(5-methyl-7-oxidanyl-5-phenyl-heptyl)carbamothioylamino]-3-phenyl-heptanoic acid

Systemtic Name: 3-methyl-7-[(5-methyl-7-oxidanyl-5-phenyl-heptyl)carbamothioylamino]-3-phenyl-heptanoic acid Openeye Name: 7-[(7-hydroxy-5-methyl-5-phenyl-heptyl)carbamothioylamino]-3-methyl-3-phenyl-heptanoic acid CAS Name: 7-[[[(7-hydroxy-5-methyl-5-phenylheptyl)amino]-sulfanylidenemethyl]amino]-3-methyl-3-phenylheptanoic acid IUPAC Name: 7-[(7-hydroxy-5-methyl-5-phenylheptyl)carbamothioylamino]-3-methyl-3-phenylheptanoic acid Traditional Name: 7-[(7-hydroxy-5-methyl-5-phenyl-heptyl)thiocarbamoylamino]-3-methyl-3-phenyl-enanthic acid Formula: C29H42N2O3S MolecularWeight: 498.72038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O3S/c1-28(19-22-32,24-13-5-3-6-14-24)17-9-11-20-30-27(35)31-21-12-10-18-29(2,23-26(33)34)25-15-7-4-8-16-25/h3-8,13-16,32H,9-12,17-23H2,1-2H3,(H,33,34)(H2,30,31,35)