
 CHEMBL422981

 98106  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL422981

>  <PubChem CID>
10794888

>  <Formula>
C45H45N3O5

>  <Molecular Weight>
707.871000

>  <IUPAC Name>


>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C45H45N3O5/c49-41(47-31-16-14-30(15-17-31)44(52)53)36(21-26-8-2-1-3-9-26)48-43(51)40-38-34-12-6-4-10-32(34)37(33-11-5-7-13-35(33)38)39(40)42(50)46-25-45-22-27-18-28(23-45)20-29(19-27)24-45/h1-17,27-29,36-40H,18-25H2,(H,46,50)(H,47,49)(H,48,51)(H,52,53)/t27?,28?,29?,36-,37?,38?,39?,40?,45?/m0/s1

>  <InChI Key>
BHJMRSIHXIHXAS-LJHSRLDXSA-N

