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

Systemtic Name: 3-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-3-yl]propanoic acid Openeye Name: 3-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-3-piperidyl]propanoic acid CAS Name: 3-[1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-piperidinyl]propanoic acid IUPAC Name: 3-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]propanoic acid Traditional Name: 3-[1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-3-piperidyl]propionic acid Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O3S/c1-2-15-30-23-19(22(29)24-18-8-4-3-5-9-18)11-12-20(25-23)26-14-6-7-17(16-26)10-13-21(27)28/h11-12,17-18H,2-10,13-16H2,1H3,(H,24,29)(H,27,28)