
 CHEMBL517017

 72 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL517017

>  <PubChem CID>
24949230

>  <Formula>
C24H32N7O8P

>  <Molecular Weight>
577.535000

>  <IUPAC Name>
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[3-[4-(diethoxyphosphorylmethyl)anilino]-3-oxopropyl]-3,4-dihydroxyoxolane-2-carboxamide

>  <XlogP>
-1.3

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CCOP(=O)(CC1=CC=C(C=C1)NC(=O)CCNC(=O)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)OCC

>  <Isomeric SMILES>
CCOP(=O)(CC1=CC=C(C=C1)NC(=O)CCNC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)OCC

>  <InChI Std. ID>
InChI=1S/C24H32N7O8P/c1-3-37-40(36,38-4-2)11-14-5-7-15(8-6-14)30-16(32)9-10-26-23(35)20-18(33)19(34)24(39-20)31-13-29-17-21(25)27-12-28-22(17)31/h5-8,12-13,18-20,24,33-34H,3-4,9-11H2,1-2H3,(H,26,35)(H,30,32)(H2,25,27,28)/t18-,19+,20-,24+/m0/s1

>  <InChI Key>
AGCQOOFNTDUYSN-CMCWBKRRSA-N

