NAAG   Click here for help

GtoPdb Ligand ID: 1405

Synonyms: N-acetylaspartylglutamate | isospaglumic acid | spaglumic acid
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 11
Topological polar surface area 170.1
Molecular weight 304.09
XLogP -2.09
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)CCC(C(=O)O)NC(=O)C(NC(=O)C)CC(=O)O
Isomeric SMILES OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)C)CC(=O)O
InChI InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]pentanedioic acid
International Nonproprietary Names Click here for help
INN number INN
4308 spaglumic acid
Synonyms Click here for help
N-acetylaspartylglutamate | isospaglumic acid | spaglumic acid
Database Links Click here for help
Specialist databases
GPCRdb Ligand NAAG
Other databases
CAS Registry No. 3106-85-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1329032
GtoPdb PubChem SID 135651520
PubChem CID 188803
Search Google for chemical match using the InChIKey OPVPGKGADVGKTG-BQBZGAKWSA-N
Search Google for chemicals with the same backbone OPVPGKGADVGKTG
Search PubMed clinical trials spaglumic acid
Search PubMed titles spaglumic acid
Search PubMed titles/abstracts spaglumic acid
UniChem Compound Search for chemical match using the InChIKey OPVPGKGADVGKTG-BQBZGAKWSA-N
UniChem Connectivity Search for chemical match using the InChIKey OPVPGKGADVGKTG-BQBZGAKWSA-N
Wikipedia N-Acetylaspartylglutamic_acid

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Spaglumic acid (links to external site)
Cat. No. 0391