[3H]SYM2081   

GtoPdb Ligand ID: 4075

Synonyms: [(3)H]4MG | [3H](2S,4R)-4-methylglutamate
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 106.28
Molecular weight 159.05
XLogP -4.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [O-]C(=O)C(CC(C(=O)[O-])N)C
Isomeric SMILES [O-]C(=O)[C@@H](C[C@@H](C(=O)[O-])N)C
InChI InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-2/t3-,4+/m1/s1
InChI Key KRKRAOXTGDJWNI-DMTCNVIQSA-L
Classification
Compound class Synthetic organic
IUPAC Name
(2S,4R)-2-amino-4-methylpentanedioate
Synonyms
[(3)H]4MG | [3H](2S,4R)-4-methylglutamate
Database Links
GtoPdb PubChem SID 178100898
PubChem CID 21117106
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