N-Acetyl-L-isoleucine

enlarge

Systematic / IUPAC Name: (2S,3S)-2-Acetamido-3-methylpentanoic acid

ID: Reference13739

Other Names: AA-3835

Formula: C8H15NO3

Class: Endogenous Metabolites

Spectral Data

N-Acetyl-L-isoleucine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 1500
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/16/2026 1:29:30 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,7-/m0/s1
InChI Key JDTWZSUNGHMMJM-FSPLSTOPSA-N
Canonical SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)O
CAS
Splash
Other Names AA-3835

In Other Databases

ChEMBL CHEMBL1221841
ChemSpider 5397969
PubChem 7036275
ChEBI CHEBI:21555