U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H13NO5
Molecular Weight 203.1925
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-CARBOXYBUTYRYL)-L-ALANINE

SMILES

C[C@H](NC(=O)CCCC(O)=O)C(O)=O

InChI

InChIKey=QAICKUPFZDJHPP-YFKPBYRVSA-N
InChI=1S/C8H13NO5/c1-5(8(13)14)9-6(10)3-2-4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H13NO5
Molecular Weight 203.1925
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:20:34 GMT 2023
Edited
by admin
on Sat Dec 16 14:20:34 GMT 2023
Record UNII
LE8D7L59YO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-CARBOXYBUTYRYL)-L-ALANINE
Systematic Name English
PENTANOIC ACID, 5-(((1S)-1-CARBOXYETHYL)AMINO)-5-OXO-
Systematic Name English
5-(((1S)-1-CARBOXYETHYL)AMINO)-5-OXOPENTANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
LE8D7L59YO
Created by admin on Sat Dec 16 14:20:34 GMT 2023 , Edited by admin on Sat Dec 16 14:20:34 GMT 2023
PRIMARY
PUBCHEM
87693715
Created by admin on Sat Dec 16 14:20:34 GMT 2023 , Edited by admin on Sat Dec 16 14:20:34 GMT 2023
PRIMARY
CAS
111691-93-1
Created by admin on Sat Dec 16 14:20:34 GMT 2023 , Edited by admin on Sat Dec 16 14:20:34 GMT 2023
PRIMARY