2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-3-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-3-yl]-2-methyl-propanoic acid Openeye Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-3-piperidyl]-2-methyl-propanoic acid CAS Name: 2-[1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-piperidinyl]-2-methylpropanoic acid IUPAC Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]-2-methylpropanoic acid Traditional Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-3-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)N2CCCC(C2)C(C)(C)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCCC(C2)C(C)(C)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C24H37N3O3S/c1-4-15-31-22-19(21(28)25-18-10-6-5-7-11-18)12-13-20(26-22)27-14-8-9-17(16-27)24(2,3)23(29)30/h12-13,17-18H,4-11,14-16H2,1-3H3,(H,25,28)(H,29,30)