1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]pyrrolidine-3-carboxylic acid Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCC(C2)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCC(C2)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C20H29N3O3S/c1-2-12-27-19-16(18(24)21-15-6-4-3-5-7-15)8-9-17(22-19)23-11-10-14(13-23)20(25)26/h8-9,14-15H,2-7,10-13H2,1H3,(H,21,24)(H,25,26)