6D4

5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine


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Chemical Component Summary

Name5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine
Identifiers(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-(2-azanylhydrazinyl)ethyl]amino]-2-azanyl-butanoic acid
FormulaC16 H28 N10 O5
Molecular Weight440.458
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNNN)O)O)N
InChIInChI=1S/C16H28N10O5/c17-8(16(29)30)1-3-25(4-2-23-24-19)5-9-11(27)12(28)15(31-9)26-7-22-10-13(18)20-6-21-14(10)26/h6-9,11-12,15,23-24,27-28H,1-5,17,19H2,(H,29,30)(H2,18,20,21)/t8-,9+,11+,12+,15+/m0/s1
InChIKeyVMVULOLZRIEVIA-OPYVMVOTSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count5
Bond Count61
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 137348452