2-[(3S)-1-[5-[(4-oxidanylcyclohexyl)carbamoyl]-6-propylsulfanyl-pyridin-2-yl]piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[(3S)-1-[5-[(4-oxidanylcyclohexyl)carbamoyl]-6-propylsulfanyl-pyridin-2-yl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[(3S)-1-[5-[(4-hydroxycyclohexyl)carbamoyl]-6-propylsulfanyl-2-pyridyl]-3-piperidyl]acetic acid CAS Name: 2-[(3S)-1-[5-[[(4-hydroxycyclohexyl)amino]-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[(3S)-1-[5-[(4-hydroxycyclohexyl)carbamoyl]-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid Traditional Name: 2-[(3S)-1-[5-[(4-hydroxycyclohexyl)carbamoyl]-6-(propylthio)-2-pyridyl]-3-piperidyl]acetic acid Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCCC(C2)CC(=O)O)C(=O)NC3CCC(CC3)O

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCC(CC3)O

InChI

InChI=1S/C22H33N3O4S/c1-2-12-30-22-18(21(29)23-16-5-7-17(26)8-6-16)9-10-19(24-22)25-11-3-4-15(14-25)13-20(27)28/h9-10,15-17,26H,2-8,11-14H2,1H3,(H,23,29)(H,27,28)/t15-,16?,17?/m0/s1