6D6

5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine



Chemical Component Summary

Name5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)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-(3-azanylpropyl)amino]-2-azanyl-butanoic acid
FormulaC17 H28 N8 O5
Molecular Weight424.455
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC[C@@H](C(=O)O)N)O)O)N
InChIInChI=1S/C17H28N8O5/c18-3-1-4-24(5-2-9(19)17(28)29)6-10-12(26)13(27)16(30-10)25-8-23-11-14(20)21-7-22-15(11)25/h7-10,12-13,16,26-27H,1-6,18-19H2,(H,28,29)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1
InChIKeyNHAKJKNYYCYZBR-UOYPZJKHSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count5
Bond Count60
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 56589655
ChEMBL CHEMBL3414628