AW1

5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine


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Chemical Component Summary

Name5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
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-tert-butylphenyl)urea
FormulaC27 H40 N8 O4
Molecular Weight540.658
TypeNON-POLYMER
Isomeric SMILESCC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O
InChIInChI=1S/C27H40N8O4/c1-16(2)34(12-6-11-29-26(38)33-18-9-7-17(8-10-18)27(3,4)5)13-19-21(36)22(37)25(39-19)35-15-32-20-23(28)30-14-31-24(20)35/h7-10,14-16,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,30,31)(H2,29,33,38)/t19-,21-,22-,25-/m1/s1
InChIKeyMTLMDZJUGDUTCP-PTGPVQHPSA-N

Chemical Details

Formal Charge0
Atom Count79
Chiral Atom Count4
Bond Count82
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL2171169
PubChem 56951879
ChEMBL CHEMBL2171169