1-[2-[[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]carbonylamino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]carbonylamino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[[1-[(4-methoxyphenyl)methylthio]cyclohexyl]-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-(p-anisylthio)cyclohexanecarbonyl]amino]propanoyl]proline Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C2(CCCCC2)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C2(CCCCC2)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H32N2O5S/c1-16(20(26)25-14-6-7-19(25)21(27)28)24-22(29)23(12-4-3-5-13-23)31-15-17-8-10-18(30-2)11-9-17/h8-11,16,19H,3-7,12-15H2,1-2H3,(H,24,29)(H,27,28)