2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-4-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-4-yl]-2-methyl-propanoic acid Openeye Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-4-piperidyl]-2-methyl-propanoic acid CAS Name: 2-[1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-4-piperidinyl]-2-methylpropanoic acid IUPAC Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-4-yl]-2-methylpropanoic acid Traditional Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-4-piperidyl]-2-methyl-propionic acid Formula: C24H37N3O3S MolecularWeight: 447.63388

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCC(CC2)C(C)(C)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCC(CC2)C(C)(C)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C24H37N3O3S/c1-4-16-31-22-19(21(28)25-18-8-6-5-7-9-18)10-11-20(26-22)27-14-12-17(13-15-27)24(2,3)23(29)30/h10-11,17-18H,4-9,12-16H2,1-3H3,(H,25,28)(H,29,30)