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

Systemtic Name: 2-[1-[6-propylsulfanyl-5-[(3S)-3-pyrazin-2-ylpyrrolidin-1-yl]carbonyl-pyridin-2-yl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[1-[6-propylsulfanyl-5-[(3S)-3-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridyl]-3-piperidyl]acetic acid CAS Name: 2-[1-[5-[oxo-[(3S)-3-(2-pyrazinyl)-1-pyrrolidinyl]methyl]-6-(propylthio)-2-pyridinyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[1-[6-propylsulfanyl-5-[(3S)-3-pyrazin-2-ylpyrrolidine-1-carbonyl]pyridin-2-yl]piperidin-3-yl]acetic acid Traditional Name: 2-[1-[6-(propylthio)-5-[(3S)-3-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridyl]-3-piperidyl]acetic acid Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCCC(C2)CC(=O)O)C(=O)N3CCC(C3)C4=NC=CN=C4

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCCC(C2)CC(=O)O)C(=O)N3CC[C@@H](C3)C4=NC=CN=C4

InChI

InChI=1S/C24H31N5O3S/c1-2-12-33-23-19(24(32)29-11-7-18(16-29)20-14-25-8-9-26-20)5-6-21(27-23)28-10-3-4-17(15-28)13-22(30)31/h5-6,8-9,14,17-18H,2-4,7,10-13,15-16H2,1H3,(H,30,31)/t17?,18-/m0/s1