
 BDBM81892

 90 94  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM81892

>  <PubChem CID>
91898392

>  <Formula>
C35H44N6O5

>  <Molecular Weight>
628.774000

>  <IUPAC Name>


>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC(C)C1C(=O)N2C(CCC=N2)C(=O)N(C(C(=O)N3CCCC3C(=O)NC(C(=O)N1)CC4=CC=CC=C4)CC5=CC=CC=C5)C

>  <Isomeric SMILES>
CCC(C)C1C(=O)N2[C@H](CCC=N2)C(=O)N(C(C(=O)N3CCC[C@@H]3C(=O)N[C@H](C(=O)N1)CC4=CC=CC=C4)CC5=CC=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C35H44N6O5/c1-4-23(2)30-35(46)41-28(17-11-19-36-41)33(44)39(3)29(22-25-15-9-6-10-16-25)34(45)40-20-12-18-27(40)32(43)37-26(31(42)38-30)21-24-13-7-5-8-14-24/h5-10,13-16,19,23,26-30H,4,11-12,17-18,20-22H2,1-3H3,(H,37,43)(H,38,42)/t23?,26-,27+,28+,29?,30?/m0/s1

>  <InChI Key>
OTWWUHFSTJTPLY-BGXORGPJSA-N

