4-{[(2S)-2-{3-[2-(4-Carbamoyl-1-piperidinyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid

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Systematic / IUPAC Name: 4-[[(2S)-2-[3-[2-(4-Carbamoylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid

ID: Reference9701

Other Names: Benzoic acid, 4-[[(2S)-2-[3-[2-[4-(aminocarbonyl)-1-piperidinyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-;
NAT18-428923

Formula: C25H28N6O4

Spectral Data

4-{[(2S)-2-{3-[2-(4-Carbamoyl-1-piperidinyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 1559
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2020 10:26:12 AM
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Identificators

InChI InChI=1S/C25H28N6O4/c26-22(32)17-8-12-30(13-9-17)21-14-19(7-10-27-21)23-28-24(35-29-23)20-2-1-11-31(20)15-16-3-5-18(6-4-16)25(33)34/h3-7,10,14,17,20H,1-2,8-9,11-13,15H2,(H2,26,32)(H,33,34)/t20-/m0/s1
InChI Key CPSUOIUSSLRUSO-FQEVSTJZSA-N
Canonical SMILES C1CC(N(C1)CC2=CC=C(C=C2)C(=O)O)C3=NC(=NO3)C4=CC(=NC=C4)N5CCC(CC5)C(=O)N
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Other Names Benzoic acid, 4-[[(2S)-2-[3-[2-[4-(aminocarbonyl)-1-piperidinyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-;
NAT18-428923

In Other Databases

PubChem 45783310
ChemSpider 29857715