3-[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]thiazolidine-4-carboxylic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CS1)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(N(CS1)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O6S/c24-16-8-6-14(7-9-16)10-17(19(25)23-13-30-12-18(23)20(26)27)22-21(28)29-11-15-4-2-1-3-5-15/h1-9,17-18,24H,10-13H2,(H,22,28)(H,26,27)