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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H10FN3O2
Molecular Weight 187.1716
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-FLUOROMETHYLHISTIDINE, (S)-

SMILES

N[C@@](CF)(CC1=CN=CN1)C(O)=O

InChI

InChIKey=AJFGLTPLWPTALJ-SSDOTTSWSA-N
InChI=1S/C7H10FN3O2/c8-3-7(9,6(12)13)1-5-2-10-4-11-5/h2,4H,1,3,9H2,(H,10,11)(H,12,13)/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H10FN3O2
Molecular Weight 187.1716
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 14:24:44 GMT 2023
Edited
by admin
on Sat Dec 16 14:24:44 GMT 2023
Record UNII
7DZ4K6ZN32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-FLUOROMETHYLHISTIDINE, (S)-
Systematic Name English
(S)-.ALPHA.-FLUOROMETHYLHISTIDINE
Systematic Name English
.ALPHA.-FMH, (S)-
Common Name English
L-HISTIDINE, .ALPHA.-(FLUOROMETHYL)-
Systematic Name English
.ALPHA.-(FLUOROMETHYL)-L-HISTIDINE
Systematic Name English
Code System Code Type Description
FDA UNII
7DZ4K6ZN32
Created by admin on Sat Dec 16 14:24:44 GMT 2023 , Edited by admin on Sat Dec 16 14:24:44 GMT 2023
PRIMARY
WIKIPEDIA
alpha-Fluoromethylhistidine
Created by admin on Sat Dec 16 14:24:44 GMT 2023 , Edited by admin on Sat Dec 16 14:24:44 GMT 2023
PRIMARY
EVMPD
SUB193824
Created by admin on Sat Dec 16 14:24:44 GMT 2023 , Edited by admin on Sat Dec 16 14:24:44 GMT 2023
PRIMARY
CAS
73804-75-8
Created by admin on Sat Dec 16 14:24:44 GMT 2023 , Edited by admin on Sat Dec 16 14:24:44 GMT 2023
PRIMARY
SMS_ID
100000178202
Created by admin on Sat Dec 16 14:24:44 GMT 2023 , Edited by admin on Sat Dec 16 14:24:44 GMT 2023
PRIMARY
PUBCHEM
188141
Created by admin on Sat Dec 16 14:24:44 GMT 2023 , Edited by admin on Sat Dec 16 14:24:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID20224221
Created by admin on Sat Dec 16 14:24:44 GMT 2023 , Edited by admin on Sat Dec 16 14:24:44 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
PARENT->ACTIVE ISOMER
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY