3-{[(3R,4S)-4-{2-Oxo-2-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]ethyl}-3-piperidinyl]methyl}-1,2-oxazole-5-carboxylic acid

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Systematic / IUPAC Name: 3-[[(3R,4S)-4-[2-Oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid

ID: Reference9357

Other Names: 5-Isoxazolecarboxylic acid, 3-[[(3R,4S)-4-[2-[4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]-2-oxoethyl]-3-piperidinyl]methyl]-;
NAT14-350099

Formula: C24H29N5O5

Spectral Data

3-{[(3R,4S)-4-{2-Oxo-2-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]ethyl}-3-piperidinyl]methyl}-1,2-oxazole-5-carboxylic 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 2828
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/6/2020 7:50:04 AM
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Identificators

InChI InChI=1S/C24H29N5O5/c30-22(12-15-5-8-25-14-16(15)11-17-13-21(23(31)32)34-27-17)28-9-6-18(7-10-28)29-20-4-2-1-3-19(20)26-24(29)33/h1-4,13,15-16,18,25H,5-12,14H2,(H,26,33)(H,31,32)/t15-,16-/m0/s1
InChI Key HTQBCRHRODXYLE-HOTGVXAUSA-N
Canonical SMILES C1CNCC(C1CC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)CC5=NOC(=C5)C(=O)O
CAS
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Other Names 5-Isoxazolecarboxylic acid, 3-[[(3R,4S)-4-[2-[4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]-2-oxoethyl]-3-piperidinyl]methyl]-;
NAT14-350099

In Other Databases

ChemSpider 21384837
PubChem 26743066