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

Systemtic Name: 5-oxidanyl-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-6-(4-phenoxyphenyl)hexanoic acid Openeye Name: 5-hydroxy-6-[3-[(3-hydroxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-6-(4-phenoxyphenyl)hexanoic acid CAS Name: 5-hydroxy-6-[[3-[(3-hydroxy-1,3-dioxopropyl)amino]phenyl]thio]-6-(4-phenoxyphenyl)hexanoic acid IUPAC Name: 5-hydroxy-6-[3-[(3-hydroxy-3-oxopropanoyl)amino]phenyl]sulfanyl-6-(4-phenoxyphenyl)hexanoic acid Traditional Name: 5-hydroxy-6-[[3-[(3-hydroxy-3-keto-propanoyl)amino]phenyl]thio]-6-(4-phenoxyphenyl)hexanoic acid Formula: C27H27NO7S MolecularWeight: 509.57078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=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)OC2=CC=C(C=C2)C(C(CCCC(=O)O)O)SC3=CC=CC(=C3)NC(=O)CC(=O)O

InChI

InChI=1S/C27H27NO7S/c29-23(10-5-11-25(31)32)27(18-12-14-21(15-13-18)35-20-7-2-1-3-8-20)36-22-9-4-6-19(16-22)28-24(30)17-26(33)34/h1-4,6-9,12-16,23,27,29H,5,10-11,17H2,(H,28,30)(H,31,32)(H,33,34)