
 CHEMBL296167

104112  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL296167

>  <PubChem CID>
44296914

>  <Formula>
C47H47N3O7

>  <Molecular Weight>
765.907000

>  <IUPAC Name>


>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C2CC3CC1CC(C2)(C3)CNC(=O)C4C(C5C6=CC=CC=C6C4C7=CC=CC=C57)CC(=O)NC(CC8=CC=CC=C8)C(=O)NC9=CC(=CC(=C9)C(=O)O)C(=O)O

>  <Isomeric SMILES>
C1C2CC3CC1CC(C2)(C3)CNC(=O)C4C(C5C6=CC=CC=C6C4C7=CC=CC=C57)CC(=O)N[C@@H](CC8=CC=CC=C8)C(=O)NC9=CC(=CC(=C9)C(=O)O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C47H47N3O7/c51-39(50-38(17-26-8-2-1-3-9-26)43(52)49-32-19-30(45(54)55)18-31(20-32)46(56)57)21-37-40-33-10-4-6-12-35(33)41(36-13-7-5-11-34(36)40)42(37)44(53)48-25-47-22-27-14-28(23-47)16-29(15-27)24-47/h1-13,18-20,27-29,37-38,40-42H,14-17,21-25H2,(H,48,53)(H,49,52)(H,50,51)(H,54,55)(H,56,57)/t27?,28?,29?,37?,38-,40?,41?,42?,47?/m0/s1

>  <InChI Key>
BNFRIDBZBVFJIR-FPHMAPQXSA-N

