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

Systemtic Name: 2-[1-[6-propylsulfanyl-5-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]carbonyl-pyridin-2-yl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[1-[6-propylsulfanyl-5-[(3S)-3-(2-pyridyl)pyrrolidine-1-carbonyl]-2-pyridyl]-3-piperidyl]acetic acid CAS Name: 2-[1-[5-[oxo-[(3S)-3-(2-pyridinyl)-1-pyrrolidinyl]methyl]-6-(propylthio)-2-pyridinyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[1-[6-propylsulfanyl-5-[(3S)-3-pyridin-2-ylpyrrolidine-1-carbonyl]pyridin-2-yl]piperidin-3-yl]acetic acid Traditional Name: 2-[1-[6-(propylthio)-5-[(3S)-3-(2-pyridyl)pyrrolidine-1-carbonyl]-2-pyridyl]-3-piperidyl]acetic acid Formula: C25H32N4O3S MolecularWeight: 468.61158

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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=CC=CC=N4

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCCC(C2)CC(=O)O)C(=O)N3CC[C@@H](C3)C4=CC=CC=N4

InChI

InChI=1S/C25H32N4O3S/c1-2-14-33-24-20(25(32)29-13-10-19(17-29)21-7-3-4-11-26-21)8-9-22(27-24)28-12-5-6-18(16-28)15-23(30)31/h3-4,7-9,11,18-19H,2,5-6,10,12-17H2,1H3,(H,30,31)/t18?,19-/m0/s1