Structure

InChI Key JMUHBNWAORSSBD-WKYWBUFDSA-N
Smiles CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(69)79-40-46(83-51(70)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-81-85(77,78)80-38-37-61-56(73)42(3)62-49(68)36-35-47(55(60)72)65-57(74)43(4)63-58(75)44(5)82-54-52(64-45(6)67)59(76)84-48(39-66)53(54)71/h42-44,46-48,52-54,59,66,71,76H,7-41H2,1-6H3,(H2,60,72)(H,61,73)(H,62,68)(H,63,75)(H,64,67)(H,65,74)(H,77,78)/t42-,43-,44+,46+,47+,48+,52+,53+,54+,59?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C59H109N6O19P
Molecular Weight 1237.52
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Bioactivity

Mechanism of Action Action Reference
Nucleotide-binding oligomerization domain-containing protein 2 other OTHER Other PubMed
Protein: Nucleotide-binding oligomerization domain-containing protein 2

Description: Nucleotide-binding oligomerization domain-containing protein 2

Organism : Homo sapiens

Q9HC29 ENSG00000167207

Cross References

Resources Reference
ChEMBL CHEMBL2107354
FDA SRS 1LM890Q4FY
Guide to Pharmacology 8274
PubChem 123133557
ChEBI 135906
ChEMBL CHEMBL2111100
DrugCentral 2960
FDA SRS 1LM890Q4FY
Guide to Pharmacology 8274
PubChem 123133557