5'-O-[N-(L-Asparaginyl)sulfamoyl]adenosine
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2,4-diamino-4-oxobutanoyl]sulfamate
Molecular Identity
5'-O-[N-(L-Asparaginyl)sulfamoyl]adenosine
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2,4-diamino-4-oxobutanoyl]sulfamate
PubChem CID: 6852127
2D Structure
Properties
C14H20N8O8S
Molecular Formula
460.43
Molecular Weight
g/mol
460.1125
Exact Mass
Da
-4.8
XLogP
Drug-like (Lipinski: < 5)
269
TPSA
May have limited oral absorption
6
H-Bond Donors
13
H-Bond Acceptors
781
Complexity
SMILES
Canonical SMILES
SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CC(=O)N)N)O)O)NIsomeric SMILES
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)N)O)O)NSynonyms(3)
5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINENSSCHEMBL1163087
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to 5'-O-[N-(L-Asparaginyl)sulfamoyl]adenosine
Loading drug network...