
 CHEMBL3144353

 98104  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3144353

>  <PubChem CID>
10439730

>  <Formula>
C41H46N6O5

>  <Molecular Weight>
702.856000

>  <IUPAC Name>


>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C=C(C2=CC=CC=C21)CC(C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4)NC(=O)CC5C(=O)N6C7CCC(C6C(=O)N5)CC7

>  <Isomeric SMILES>
CN1C=C(C2=CC=CC=C21)C[C@H](C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4)NC(=O)C[C@H]5C(=O)N6[C@@H](C7CCC6CC7)C(=O)N5

>  <InChI Std. ID>
InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50)/t28?,30?,32-,33+,34+,37+/m1/s1

>  <InChI Key>
OZQNRPOHMYPZKM-LRAUYJCASA-N

