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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H11FN2O4
Molecular Weight 254.2144
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N2-(4-Fluorobenzoyl)-L-asparagine

SMILES

NC(=O)C[C@H](NC(=O)C1=CC=C(F)C=C1)C(O)=O

InChI

InChIKey=KKUHFMWWFSCRCG-QMMMGPOBSA-N
InChI=1S/C11H11FN2O4/c12-7-3-1-6(2-4-7)10(16)14-8(11(17)18)5-9(13)15/h1-4,8H,5H2,(H2,13,15)(H,14,16)(H,17,18)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H11FN2O4
Molecular Weight 254.2144
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 19:35:56 GMT 2023
Edited
by admin
on Sat Dec 16 19:35:56 GMT 2023
Record UNII
A6F6CKK5TF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N2-(4-Fluorobenzoyl)-L-asparagine
Common Name English
(2S)-3-carbamoyl-2-[(4-fluorophenyl)formamido]propanoic acid
Systematic Name English
(2S)-4-amino-2-[(4-fluorobenzoyl)amino]-4-oxobutanoic acid
Systematic Name English
L-Asparagine, N2-(4-fluorobenzoyl)-
Common Name English
Code System Code Type Description
FDA UNII
A6F6CKK5TF
Created by admin on Sat Dec 16 19:35:56 GMT 2023 , Edited by admin on Sat Dec 16 19:35:56 GMT 2023
PRIMARY
CAS
1103305-47-0
Created by admin on Sat Dec 16 19:35:56 GMT 2023 , Edited by admin on Sat Dec 16 19:35:56 GMT 2023
PRIMARY
PUBCHEM
40566586
Created by admin on Sat Dec 16 19:35:56 GMT 2023 , Edited by admin on Sat Dec 16 19:35:56 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED