5-(3-hydroxyphenyl)-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(3-hydroxyphenyl)-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-(3-hydroxyphenyl)-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 5-(3-hydroxyphenyl)-1-[2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(3-hydroxyphenyl)-1-[2-[(3-phenyl-2-sulfanylpropanoyl)amino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 5-(3-hydroxyphenyl)-1-[2-[(2-mercapto-3-phenyl-propanoyl)amino]acetyl]proline Formula: C22H24N2O5S MolecularWeight: 428.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC(=CC=C2)O)C(=O)CNC(=O)C(CC3=CC=CC=C3)S)C(=O)O

Isomeric SMILES

C1CC(N(C1C2=CC(=CC=C2)O)C(=O)CNC(=O)C(CC3=CC=CC=C3)S)C(=O)O

InChI

InChI=1S/C22H24N2O5S/c25-16-8-4-7-15(12-16)17-9-10-18(22(28)29)24(17)20(26)13-23-21(27)19(30)11-14-5-2-1-3-6-14/h1-8,12,17-19,25,30H,9-11,13H2,(H,23,27)(H,28,29)