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

Systemtic Name: 3-methyl-7-[(5-methyl-7-oxidanyl-7-oxidanylidene-5-phenyl-heptyl)carbamothioylamino]-3-phenyl-heptanoic acid Openeye Name: 7-[(7-hydroxy-5-methyl-7-oxo-5-phenyl-heptyl)carbamothioylamino]-3-methyl-3-phenyl-heptanoic acid CAS Name: 7-[[[(7-hydroxy-5-methyl-7-oxo-5-phenylheptyl)amino]-sulfanylidenemethyl]amino]-3-methyl-3-phenylheptanoic acid IUPAC Name: 7-[(7-hydroxy-5-methyl-7-oxo-5-phenylheptyl)carbamothioylamino]-3-methyl-3-phenylheptanoic acid Traditional Name: 7-[(7-hydroxy-7-keto-5-methyl-5-phenyl-heptyl)thiocarbamoylamino]-3-methyl-3-phenyl-enanthic acid Formula: C29H40N2O4S MolecularWeight: 512.7039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4S/c1-28(21-25(32)33,23-13-5-3-6-14-23)17-9-11-19-30-27(36)31-20-12-10-18-29(2,22-26(34)35)24-15-7-4-8-16-24/h3-8,13-16H,9-12,17-22H2,1-2H3,(H,32,33)(H,34,35)(H2,30,31,36)