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

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

ID: Reference10878

Other Names: Pentanoic acid, 5-[[[(1S,4S,6S)-4-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]amino]-3,3-dimethyl-5-oxo-;
NAT28-538575

Formula: C25H36N4O3

Spectral Data

5-({[(1S,4S,6S)-4-(1H-Imidazo[4,5-b]pyridin-2-ylmethyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}amino)-3,3-dimethyl-5-oxopentanoic 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 1483
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/23/2021 8:06:49 AM
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Identificators

InChI InChI=1S/C25H36N4O3/c1-15(2)19-10-17(11-21-28-20-7-6-8-26-24(20)29-21)16(3)9-18(19)14-27-22(30)12-25(4,5)13-23(31)32/h6-9,15,17-19H,10-14H2,1-5H3,(H,27,30)(H,31,32)(H,26,28,29)/t17-,18-,19-/m0/s1
InChI Key AQJIAWJOXLGSBF-FHWLQOOXSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=CC=N3)C(C)C)CNC(=O)CC(C)(C)CC(=O)O
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Other Names Pentanoic acid, 5-[[[(1S,4S,6S)-4-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]amino]-3,3-dimethyl-5-oxo-;
NAT28-538575

In Other Databases

PubChem 71693104
ChemSpider 29849634