5-Fluoro AMB metabolite 3

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Systematic / IUPAC Name: 5-(3-{[(2S)-1-Methoxy-3-methyl-1-oxo-2-butanyl]carbamoyl}-1H-indazol-1-yl)pentanoic acid

ID: Reference6872

Other Names: L-Valine, N-{[1-(4-carboxybutyl)-1H-indazol-3-yl]carbonyl}, methyl ester ;
5-fluoro AMB N-pentanoic acid metabolite ;
AMB N-pentanoic acid metabolite ;
5-fluoro AMP metabolite 3

Formula: C19H25N3O5

Spectral Data

5-Fluoro AMB metabolite 3 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/27/2017 1:11:22 PM
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Identificators

InChI InChI=1S/C19H25N3O5/c1-12(2)16(19(26)27-3)20-18(25)17-13-8-4-5-9-14(13)22(21-17)11-7-6-10-15(23)24/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3,(H,20,25)(H,23,24)/t16-/m0/s1
InChI Key PHUYBCJFBMJODK-INIZCTEOSA-N
Canonical SMILES CC(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCCC(=O)O
CAS 1890250211
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Other Names L-Valine, N-{[1-(4-carboxybutyl)-1H-indazol-3-yl]carbonyl}, methyl ester ;
5-fluoro AMB N-pentanoic acid metabolite ;
AMB N-pentanoic acid metabolite ;
5-fluoro AMP metabolite 3

In Other Databases

PubChem 129522104
ChemSpider 57621557