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

Systemtic Name: 2-[(3S)-1-[5-(4-aminocarbonylpiperidin-1-yl)carbonyl-6-propylsulfanyl-pyridin-2-yl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[(3S)-1-[5-(4-carbamoylpiperidine-1-carbonyl)-6-propylsulfanyl-2-pyridyl]-3-piperidyl]acetic acid CAS Name: 2-[(3S)-1-[5-[(4-carbamoyl-1-piperidinyl)-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[(3S)-1-[5-(4-carbamoylpiperidine-1-carbonyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid Traditional Name: 2-[(3S)-1-[5-(4-carbamoylpiperidine-1-carbonyl)-6-(propylthio)-2-pyridyl]-3-piperidyl]acetic acid Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCCC(C2)CC(=O)O)C(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCC[C@H](C2)CC(=O)O)C(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H32N4O4S/c1-2-12-31-21-17(22(30)25-10-7-16(8-11-25)20(23)29)5-6-18(24-21)26-9-3-4-15(14-26)13-19(27)28/h5-6,15-16H,2-4,7-14H2,1H3,(H2,23,29)(H,27,28)/t15-/m0/s1