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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H17NO3
Molecular Weight 187.2362
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-((E)-2-BUTENYL)-4-METHYL-L-THREONINE, (4R)-

SMILES

C\C=C\C[C@@H](C)[C@@H](O)[C@H](N)C(O)=O

InChI

InChIKey=RPALEGQGCGCFCX-FIWMUJSFSA-N
InChI=1S/C9H17NO3/c1-3-4-5-6(2)8(11)7(10)9(12)13/h3-4,6-8,11H,5,10H2,1-2H3,(H,12,13)/b4-3+/t6-,7+,8-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(4R)-4-((E)-2-BUTENYL)-4-METHYL-L-THREONINE
Preferred Name English
4-((E)-2-BUTENYL)-4-METHYL-L-THREONINE, (4R)-
Systematic Name English
L-XYLONIC ACID, 2-AMINO-4-(2E)-2-BUTEN-1-YL-2,4,5-TRIDEOXY-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701197219
Created by admin on Wed Apr 02 01:42:16 GMT 2025 , Edited by admin on Wed Apr 02 01:42:16 GMT 2025
PRIMARY
PUBCHEM
5282047
Created by admin on Wed Apr 02 01:42:16 GMT 2025 , Edited by admin on Wed Apr 02 01:42:16 GMT 2025
PRIMARY
CAS
81135-57-1
Created by admin on Wed Apr 02 01:42:16 GMT 2025 , Edited by admin on Wed Apr 02 01:42:16 GMT 2025
PRIMARY
FDA UNII
46DWS7A8NN
Created by admin on Wed Apr 02 01:42:16 GMT 2025 , Edited by admin on Wed Apr 02 01:42:16 GMT 2025
PRIMARY