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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14NO4
Molecular Weight 188.2011
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge -1

SHOW SMILES / InChI
Structure of VALACTATE

SMILES

CC(C)[C@H](N)C(=O)O[C@@H](C)C([O-])=O

InChI

InChIKey=PULHSZUYKJKPMM-WDSKDSINSA-M
InChI=1S/C8H15NO4/c1-4(2)6(9)8(12)13-5(3)7(10)11/h4-6H,9H2,1-3H3,(H,10,11)/p-1/t5-,6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H15NO4
Molecular Weight 189.209
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:14:11 GMT 2023
Edited
by admin
on Fri Dec 15 16:14:11 GMT 2023
Record UNII
64L5H2TN0Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALACTATE
INN  
INN  
Official Name English
valactate [INN]
Common Name English
(2S)-2-((2S)-2-AMINO-3-METHYLBUTANOYLOXY)PROPANOATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C345
Created by admin on Fri Dec 15 16:14:11 GMT 2023 , Edited by admin on Fri Dec 15 16:14:11 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C152813
Created by admin on Fri Dec 15 16:14:11 GMT 2023 , Edited by admin on Fri Dec 15 16:14:11 GMT 2023
PRIMARY
CAS
29028-22-6
Created by admin on Fri Dec 15 16:14:11 GMT 2023 , Edited by admin on Fri Dec 15 16:14:11 GMT 2023
PRIMARY
INN
9106
Created by admin on Fri Dec 15 16:14:11 GMT 2023 , Edited by admin on Fri Dec 15 16:14:11 GMT 2023
PRIMARY
FDA UNII
64L5H2TN0Z
Created by admin on Fri Dec 15 16:14:11 GMT 2023 , Edited by admin on Fri Dec 15 16:14:11 GMT 2023
PRIMARY
PUBCHEM
76965409
Created by admin on Fri Dec 15 16:14:11 GMT 2023 , Edited by admin on Fri Dec 15 16:14:11 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY