2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 135
Total Number of Articles : 162
PubChem 3086599
Molecular Formula

C23H29N7O6

SMILES

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O

InChI

InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1

synonyms
  • Cgs 21680
  • 120225-54-9
  • CGS-21680
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Properties
Property Value
MW 499.5 g/mol
HBD 6
HBA 11
Rotatable Bond Count 10
Exact Mass 499.21793167 g/mol
Monoisotopic Mass 499.21793167 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 754
xlogp 0.5
Topological Polar Surface Area 198