(2S,5R)-1-[2-[[3-(4-carboxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,5R)-1-[2-[[3-(4-carboxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,5R)-1-[2-[[3-(4-carboxyphenyl)-2-sulfanyl-propanoyl]amino]acetyl]-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,5R)-1-[2-[[3-(4-carboxyphenyl)-2-mercapto-1-oxopropyl]amino]-1-oxoethyl]-5-(2-hydroxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,5R)-1-[2-[[3-(4-carboxyphenyl)-2-sulfanylpropanoyl]amino]acetyl]-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,5R)-1-[2-[[3-(4-carboxyphenyl)-2-mercapto-propanoyl]amino]acetyl]-5-(2-hydroxyphenyl)proline Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2O)C(=O)CNC(=O)C(CC3=CC=C(C=C3)C(=O)O)S)C(=O)O

Isomeric SMILES

C1C[C@H](N([C@H]1C2=CC=CC=C2O)C(=O)CNC(=O)C(CC3=CC=C(C=C3)C(=O)O)S)C(=O)O

InChI

InChI=1S/C23H24N2O7S/c26-18-4-2-1-3-15(18)16-9-10-17(23(31)32)25(16)20(27)12-24-21(28)19(33)11-13-5-7-14(8-6-13)22(29)30/h1-8,16-17,19,26,33H,9-12H2,(H,24,28)(H,29,30)(H,31,32)/t16-,17+,19?/m1/s1