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

Details

Stereochemistry RACEMIC
Molecular Formula C14H16N2O5
Molecular Weight 292.2872
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Monatin, (±)-

SMILES

N[C@H](C[C@](O)(CC1=CNC2=C1C=CC=C2)C(O)=O)C(O)=O

InChI

InChIKey=RMLYXMMBIZLGAQ-QMTHXVAHSA-N
InChI=1S/C14H16N2O5/c15-10(12(17)18)6-14(21,13(19)20)5-8-7-16-11-4-2-1-3-9(8)11/h1-4,7,10,16,21H,5-6,15H2,(H,17,18)(H,19,20)/t10-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H16N2O5
Molecular Weight 292.2872
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 Wed Apr 02 17:17:19 GMT 2025
Edited
by admin
on Wed Apr 02 17:17:19 GMT 2025
Record UNII
ASM8HX4W5F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Monatin, (±)-
Common Name English
(±)-Monatin
Preferred Name English
rel-(4R)-4-Hydroxy-4-(1H-indol-3-ylmethyl)-D-glutamic acid
Systematic Name English
DL-Glutamic acid, 4-hydroxy-4-(1H-indol-3-ylmethyl)-, (R*,R*)-
Systematic Name English
rel-(2R,4R)-4-Hydroxy-4-(3-indolylmethyl)-2-aminoglutaric acid
Systematic Name English
D-Glutamic acid, 4-hydroxy-4-(1H-indol-3-ylmethyl)-, (4R)-rel-
Systematic Name English
Code System Code Type Description
CAS
136440-36-3
Created by admin on Wed Apr 02 17:17:19 GMT 2025 , Edited by admin on Wed Apr 02 17:17:19 GMT 2025
PRIMARY
FDA UNII
ASM8HX4W5F
Created by admin on Wed Apr 02 17:17:19 GMT 2025 , Edited by admin on Wed Apr 02 17:17:19 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE