(S)-3,4-DCPG   Click here for help

GtoPdb Ligand ID: 1407

Synonyms: (S)-3,4-dicarboxylphenylglycine
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 137.92
Molecular weight 239.04
XLogP -2.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(c1ccc(c(c1)C(=O)O)C(=O)O)C(=O)O
Isomeric SMILES N[C@@H](c1ccc(c(c1)C(=O)O)C(=O)O)C(=O)O
InChI InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
InChI Key IJVMOGKBEVRBPP-ZETCQYMHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]phthalic acid
Synonyms Click here for help
(S)-3,4-dicarboxylphenylglycine
Database Links Click here for help
BindingDB Ligand 50138783
CAS Registry No. 201730-11-2 (source: Scifinder)
ChEMBL Ligand CHEMBL143210
GtoPdb PubChem SID 135650423
PubChem CID 16062593
RCSB PDB Ligand HVG
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Wikipedia DCPG

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Tocris
(S)-3,4-DCPG
Cat. No. 1302