Asp-AMS

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 11190411
Molecular Formula

C14H19N7O9S

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)O)N)O)O)N

InChI

InChI=1S/C14H19N7O9S/c15-5(1-7(22)23)13(26)20-31(27,28)29-2-6-9(24)10(25)14(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,14,24-25H,1-2,15H2,(H,20,26)(H,22,23)(H2,16,17,18)/t5-,6+,9+,10+,14+/m0/s1

synonyms
  • Asp-AMS
  • 828288-98-8
  • 5'-O-(L-Alpha-Aspartylsulfamoyl)adenosine
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Properties
Property Value
MW 461.41 g/mol
HBD 6
HBA 14
Rotatable Bond Count 8
Exact Mass 461.09649638 g/mol
Monoisotopic Mass 461.09649638 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 781
xlogp -6.5
Topological Polar Surface Area 264