3-(4-hydroxyphenyl)-2-[[1-(4-phenylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[1-(4-phenylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[1-(4-phenylphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[[4-mercapto-1-(4-phenylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[1-(4-phenylphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[4-mercapto-1-(4-phenylphenyl)sulfonyl-prolyl]amino]propionic acid Formula: C26H26N2O6S2 MolecularWeight: 526.62444

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S

Isomeric SMILES

C1C(CN(C1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S

InChI

InChI=1S/C26H26N2O6S2/c29-20-10-6-17(7-11-20)14-23(26(31)32)27-25(30)24-15-21(35)16-28(24)36(33,34)22-12-8-19(9-13-22)18-4-2-1-3-5-18/h1-13,21,23-24,29,35H,14-16H2,(H,27,30)(H,31,32)