2-(2-methylpropanoylamino)-3-[(4-phenoxyphenyl)methylsulfanyl]-3-(phenylcarbonylsulfanyl)propanoic acid

Systemtic Name: 2-(2-methylpropanoylamino)-3-[(4-phenoxyphenyl)methylsulfanyl]-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 3-benzoylsulfanyl-2-(2-methylpropanoylamino)-3-[(4-phenoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 3-(benzoylthio)-2-[(2-methyl-1-oxopropyl)amino]-3-[(4-phenoxyphenyl)methylthio]propanoic acid IUPAC Name: 3-benzoylsulfanyl-2-(2-methylpropanoylamino)-3-[(4-phenoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-(benzoylthio)-2-(isobutyrylamino)-3-[(4-phenoxybenzyl)thio]propionic acid Formula: C27H27NO5S2 MolecularWeight: 509.63698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(SCC1=CC=C(C=C1)OC2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(C(SCC1=CC=C(C=C1)OC2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H27NO5S2/c1-18(2)24(29)28-23(25(30)31)27(35-26(32)20-9-5-3-6-10-20)34-17-19-13-15-22(16-14-19)33-21-11-7-4-8-12-21/h3-16,18,23,27H,17H2,1-2H3,(H,28,29)(H,30,31)