2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C26H23NO6S2 MolecularWeight: 509.59392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H23NO6S2/c28-20-13-11-17(12-14-20)15-21(24(30)31)27-23(29)22(35-26(33)19-9-5-2-6-10-19)16-34-25(32)18-7-3-1-4-8-18/h1-14,21-22,28H,15-16H2,(H,27,29)(H,30,31)