MURAMYL DIPEPTIDE

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Synonyms
Status
Molecule Category Free-form
UNII 2U7S2HVO96

Structure

InChI Key BSOQXXWZTUDTEL-QAQREVAFSA-N
Smiles CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O
InChI
InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H32N4O11
Molecular Weight 492.48
AlogP -4.33
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 12.0
Polar Surface Area 246.84
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- - 200 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 200 - -

Cross References

Resources Reference
ChEMBL CHEMBL1779325
FDA SRS 2U7S2HVO96
SureChEMBL SCHEMBL41813
CONTENTS