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5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine


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Chemical Component Summary

Name5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine
Identifiers1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]propyl]-3-(4-tert-butylphenyl)urea
FormulaC25 H36 N8 O4
Molecular Weight512.605
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)c1ccc(cc1)NC(=O)NCCCN(C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O
InChIInChI=1S/C25H36N8O4/c1-25(2,3)15-6-8-16(9-7-15)31-24(36)27-10-5-11-32(4)12-17-19(34)20(35)23(37-17)33-14-30-18-21(26)28-13-29-22(18)33/h6-9,13-14,17,19-20,23,34-35H,5,10-12H2,1-4H3,(H2,26,28,29)(H2,27,31,36)/t17-,19-,20-,23-/m1/s1
InChIKeyDHTNDMXCZIAPMX-ZDXOVATRSA-N

Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count4
Bond Count76
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL3087500
PubChem 57384118
ChEMBL CHEMBL3087500