(2S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]proline Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCCC2C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCC[C@H]2C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C20H29N3O3S/c1-2-13-27-19-15(18(24)21-14-7-4-3-5-8-14)10-11-17(22-19)23-12-6-9-16(23)20(25)26/h10-11,14,16H,2-9,12-13H2,1H3,(H,21,24)(H,25,26)/t16-/m0/s1