MAP4   Click here for help

GtoPdb Ligand ID: 1414

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 130.66
Molecular weight 197.05
XLogP -4.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(CCP(=O)(O)O)(N)C
Isomeric SMILES OC(=O)[C@](CCP(=O)(O)O)(N)C
InChI InChI=1S/C5H12NO5P/c1-5(6,4(7)8)2-3-12(9,10)11/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11)/t5-/m0/s1
InChI Key HONKEGXLWUDTCF-YFKPBYRVSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-amino-2-methyl-4-phosphonobutanoic acid
Database Links Click here for help
CAS Registry No. 157381-42-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1488784
GtoPdb PubChem SID 135650565
PubChem CID 1795545
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Tocris
MAP4
Cat. No. 0711