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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H13N3O7
Molecular Weight 311.2475
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-?-Glutamyl-3-carboxy-4-nitroanilide

SMILES

N[C@@H](CCC(=O)NC1=CC=C(C(=C1)C(O)=O)[N+]([O-])=O)C(O)=O

InChI

InChIKey=AHFFWTMLFDZSOF-QMMMGPOBSA-N
InChI=1S/C12H13N3O7/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H13N3O7
Molecular Weight 311.2475
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 Wed Apr 02 19:48:36 GMT 2025
Edited
by admin
on Wed Apr 02 19:48:36 GMT 2025
Record UNII
XF4X4HH5DX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-5-[(4-Amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoic acid
Preferred Name English
L-?-Glutamyl-3-carboxy-4-nitroanilide
Systematic Name English
5-[(4-Amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoic acid, (S)-
Systematic Name English
Benzoic acid, 5-[[(4S)-4-amino-4-carboxy-1-oxobutyl]amino]-2-nitro-
Systematic Name English
5-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-2-nitrobenzoic acid
Systematic Name English
Code System Code Type Description
CAS
53602-84-9
Created by admin on Wed Apr 02 19:48:36 GMT 2025 , Edited by admin on Wed Apr 02 19:48:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID20968375
Created by admin on Wed Apr 02 19:48:36 GMT 2025 , Edited by admin on Wed Apr 02 19:48:36 GMT 2025
PRIMARY
FDA UNII
XF4X4HH5DX
Created by admin on Wed Apr 02 19:48:36 GMT 2025 , Edited by admin on Wed Apr 02 19:48:36 GMT 2025
PRIMARY
PUBCHEM
104545
Created by admin on Wed Apr 02 19:48:36 GMT 2025 , Edited by admin on Wed Apr 02 19:48:36 GMT 2025
PRIMARY