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

Systemtic Name: 2-[1-[6-cyclopentylsulfanyl-5-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]carbonyl-pyridin-2-yl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[1-[6-cyclopentylsulfanyl-5-[(3S)-3-(3-pyridyl)pyrrolidine-1-carbonyl]-2-pyridyl]-3-piperidyl]acetic acid CAS Name: 2-[1-[6-(cyclopentylthio)-5-[oxo-[(3S)-3-(3-pyridinyl)-1-pyrrolidinyl]methyl]-2-pyridinyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[1-[6-cyclopentylsulfanyl-5-[(3S)-3-pyridin-3-ylpyrrolidine-1-carbonyl]pyridin-2-yl]piperidin-3-yl]acetic acid Traditional Name: 2-[1-[6-(cyclopentylthio)-5-[(3S)-3-(3-pyridyl)pyrrolidine-1-carbonyl]-2-pyridyl]-3-piperidyl]acetic acid Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=C(C=CC(=N2)N3CCCC(C3)CC(=O)O)C(=O)N4CCC(C4)C5=CN=CC=C5

Isomeric SMILES

C1CCC(C1)SC2=C(C=CC(=N2)N3CCCC(C3)CC(=O)O)C(=O)N4CC[C@H](C4)C5=CN=CC=C5

InChI

InChI=1S/C27H34N4O3S/c32-25(33)15-19-5-4-13-30(17-19)24-10-9-23(26(29-24)35-22-7-1-2-8-22)27(34)31-14-11-21(18-31)20-6-3-12-28-16-20/h3,6,9-10,12,16,19,21-22H,1-2,4-5,7-8,11,13-15,17-18H2,(H,32,33)/t19?,21-/m1/s1