
 CHEMBL344014

105113  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL344014

>  <PubChem CID>
44356826

>  <Formula>
C47H47N3O8

>  <Molecular Weight>
781.906000

>  <IUPAC Name>


>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC=C(C=C1)CC(C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)NC(=O)C3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)NCC78CC9CC(C7)CC(C9)C8

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C[C@H](C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)NC(=O)C3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)NCC78CC9CC(C7)CC(C9)C8

>  <InChI Std. ID>
InChI=1S/C47H47N3O8/c1-58-32-12-10-25(11-13-32)17-37(42(51)49-31-19-29(45(54)55)18-30(20-31)46(56)57)50-44(53)41-39-35-8-4-2-6-33(35)38(34-7-3-5-9-36(34)39)40(41)43(52)48-24-47-21-26-14-27(22-47)16-28(15-26)23-47/h2-13,18-20,26-28,37-41H,14-17,21-24H2,1H3,(H,48,52)(H,49,51)(H,50,53)(H,54,55)(H,56,57)/t26?,27?,28?,37-,38?,39?,40?,41?,47?/m1/s1

>  <InChI Key>
AVKLNDGGPQGOGK-JTOZRDNLSA-N

