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

Systemtic Name: 1-[2-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]acetyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-(acetylthio)-3-phenyl-propanoyl]amino]acetyl]-5-phenyl-proline Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S/c1-16(27)32-21(14-17-8-4-2-5-9-17)23(29)25-15-22(28)26-19(12-13-20(26)24(30)31)18-10-6-3-7-11-18/h2-11,19-21H,12-15H2,1H3,(H,25,29)(H,30,31)