5-oxidanyl-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-6-(4-phenethylphenyl)hexanoic acid

Systemtic Name: 5-oxidanyl-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-6-(4-phenethylphenyl)hexanoic acid Openeye Name: 5-hydroxy-6-[3-[(3-hydroxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-6-(4-phenethylphenyl)hexanoic acid CAS Name: 5-hydroxy-6-[[3-[(3-hydroxy-1,3-dioxopropyl)amino]phenyl]thio]-6-(4-phenethylphenyl)hexanoic acid IUPAC Name: 5-hydroxy-6-[3-[(3-hydroxy-3-oxopropanoyl)amino]phenyl]sulfanyl-6-(4-phenethylphenyl)hexanoic acid Traditional Name: 5-hydroxy-6-[[3-[(3-hydroxy-3-keto-propanoyl)amino]phenyl]thio]-6-(4-phenethylphenyl)hexanoic acid Formula: C29H31NO6S MolecularWeight: 521.62454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(C(CCCC(=O)O)O)SC3=CC=CC(=C3)NC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(C(CCCC(=O)O)O)SC3=CC=CC(=C3)NC(=O)CC(=O)O

InChI

InChI=1S/C29H31NO6S/c31-25(10-5-11-27(33)34)29(37-24-9-4-8-23(18-24)30-26(32)19-28(35)36)22-16-14-21(15-17-22)13-12-20-6-2-1-3-7-20/h1-4,6-9,14-18,25,29,31H,5,10-13,19H2,(H,30,32)(H,33,34)(H,35,36)