4-({[(1S,4S,6S)-4-(1H-Imidazo[4,5-b]pyridin-2-ylmethyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}amino)-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-[[(1S,4S,6S)-4-(1H-Imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid

ID: Reference13055

Other Names: NAT28-538565

Formula: C22H30N4O3

Spectral Data

4-({[(1S,4S,6S)-4-(1H-Imidazo[4,5-b]pyridin-2-ylmethyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}amino)-4-oxobutanoic 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 1
No. of Spectra 1901
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/11/2024 10:51:47 AM
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Identificators

InChI InChI=1S/C22H30N4O3/c1-13(2)17-10-15(11-19-25-18-5-4-8-23-22(18)26-19)14(3)9-16(17)12-24-20(27)6-7-21(28)29/h4-5,8-9,13,15-17H,6-7,10-12H2,1-3H3,(H,24,27)(H,28,29)(H,23,25,26)/t15-,16-,17-/m0/s1
InChI Key IIJJBFMZWOIGML-ULQDDVLXSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=CC=N3)C(C)C)CNC(=O)CCC(=O)O
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Other Names NAT28-538565

In Other Databases

PubChem 71693102
ChemSpider 29849632