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(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid


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Chemical Component Summary

Name(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid
Identifiers(2S,5S)-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-azanyl-5-(propylamino)hexanoic acid
FormulaC18 H29 N7 O5
Molecular Weight423.467
TypeNON-POLYMER
Isomeric SMILESCCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChIInChI=1S/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/m0/s1
InChIKeyZDIZXAAADLAUDS-GTAFEMJLSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count6
Bond Count61
Aromatic Bond Count10

Related Resource References

Resource NameReference
Pharos CHEMBL3414624
PubChem 60150359
ChEMBL CHEMBL3414624