Chemical Component Summary

Name5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine
Identifiers1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-propan-2-yl-amino]propyl]-3-(4-methylphenyl)urea
FormulaC24 H34 N8 O4
Molecular Weight498.578
TypeNON-POLYMER
Isomeric SMILESCc1ccc(cc1)NC(=O)NCCC[N@](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(C)C
InChIInChI=1S/C24H34N8O4/c1-14(2)31(10-4-9-26-24(35)30-16-7-5-15(3)6-8-16)11-17-19(33)20(34)23(36-17)32-13-29-18-21(25)27-12-28-22(18)32/h5-8,12-14,17,19-20,23,33-34H,4,9-11H2,1-3H3,(H2,25,27,28)(H2,26,30,35)/t17-,19-,20-,23-/m1/s1
InChIKeyKQTSVJQPAVOUSL-ZDXOVATRSA-N

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count4
Bond Count73
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 56951878