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

Systemtic Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-4-yl]propanoic acid Openeye Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-4-piperidyl]propanoic acid CAS Name: 2-[1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-4-piperidinyl]propanoic acid IUPAC Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-4-yl]propanoic acid Traditional Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-4-piperidyl]propionic acid Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O3S/c1-3-15-30-22-19(21(27)24-18-7-5-4-6-8-18)9-10-20(25-22)26-13-11-17(12-14-26)16(2)23(28)29/h9-10,16-18H,3-8,11-15H2,1-2H3,(H,24,27)(H,28,29)