[3H]L-aspartic acid   Click here for help

GtoPdb Ligand ID: 4534

Synonyms: [3H]-L-aspartate | [3H]-L-aspartic acid
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 100.62
Molecular weight 133.04
XLogP -3.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CC(C(=O)O)N
Isomeric SMILES OC(=O)C[C@@H](C(=O)O)N
InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChI Key CKLJMWTZIZZHCS-REOHCLBHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-aminobutanedioic acid
Synonyms Click here for help
[3H]-L-aspartate | [3H]-L-aspartic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL274323
DrugCentral Ligand 1550
GtoPdb PubChem SID 178101255
PubChem CID 5960
RCSB PDB Ligand ASP, IAS
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Tocris
L-Aspartic acid
Cat. No. 0214