2-[[2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidin-4-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidin-4-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)thiazolidine-4-carbonyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[[2-(2-hydroxyphenyl)-3-(3-mercapto-1-oxopropyl)-4-thiazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-(2-hydroxyphenyl)-3-(3-mercaptopropanoyl)thiazolidine-4-carbonyl]amino]propionic acid Formula: C16H20N2O6S2 MolecularWeight: 400.4698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(S1)C2=CC=CC=C2O)C(=O)CCS)C(=O)NC(CO)C(=O)O

Isomeric SMILES

C1C(N(C(S1)C2=CC=CC=C2O)C(=O)CCS)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C16H20N2O6S2/c19-7-10(16(23)24)17-14(22)11-8-26-15(18(11)13(21)5-6-25)9-3-1-2-4-12(9)20/h1-4,10-11,15,19-20,25H,5-8H2,(H,17,22)(H,23,24)