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

Systemtic Name: 5-(2-hydroxyphenyl)-1-[2-[(3-phenyl-2-propanoylsulfanyl-propanoyl)amino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-(2-hydroxyphenyl)-1-[2-[(3-phenyl-2-propanoylsulfanyl-propanoyl)amino]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 5-(2-hydroxyphenyl)-1-[1-oxo-2-[[1-oxo-2-(1-oxopropylthio)-3-phenylpropyl]amino]ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(2-hydroxyphenyl)-1-[2-[(3-phenyl-2-propanoylsulfanylpropanoyl)amino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 5-(2-hydroxyphenyl)-1-[2-[[3-phenyl-2-(propionylthio)propanoyl]amino]acetyl]proline Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC(CC1=CC=CC=C1)C(=O)NCC(=O)N2C(CCC2C(=O)O)C3=CC=CC=C3O

Isomeric SMILES

CCC(=O)SC(CC1=CC=CC=C1)C(=O)NCC(=O)N2C(CCC2C(=O)O)C3=CC=CC=C3O

InChI

InChI=1S/C25H28N2O6S/c1-2-23(30)34-21(14-16-8-4-3-5-9-16)24(31)26-15-22(29)27-18(12-13-19(27)25(32)33)17-10-6-7-11-20(17)28/h3-11,18-19,21,28H,2,12-15H2,1H3,(H,26,31)(H,32,33)