1-[2-[[2-(phenylcarbonylsulfanyl)cyclohexyl]carbonylamino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-(phenylcarbonylsulfanyl)cyclohexyl]carbonylamino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-benzoylsulfanylcyclohexanecarbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[[2-(benzoylthio)cyclohexyl]-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-benzoylsulfanylcyclohexanecarbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-(benzoylthio)cyclohexanecarbonyl]amino]propanoyl]proline Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C2CCCCC2SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C2CCCCC2SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O5S/c1-14(20(26)24-13-7-11-17(24)21(27)28)23-19(25)16-10-5-6-12-18(16)30-22(29)15-8-3-2-4-9-15/h2-4,8-9,14,16-18H,5-7,10-13H2,1H3,(H,23,25)(H,27,28)