
 CHEMBL385673

 84 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL385673

>  <PubChem CID>
11192254

>  <Formula>
C32H43N5O4

>  <Molecular Weight>
561.727000

>  <IUPAC Name>
(7S,10R,13R)-13-(1H-indol-3-ylmethyl)-10-propan-2-yl-7-propyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1C(=O)NCCCC2=CC=CC=C2OCCNC(C(=O)NC(C(=O)N1)C(C)C)CC3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
CCC[C@H]1C(=O)NCCCC2=CC=CC=C2OCCN[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)CC3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C32H43N5O4/c1-4-10-26-30(38)34-16-9-12-22-11-5-8-15-28(22)41-18-17-33-27(31(39)37-29(21(2)3)32(40)36-26)19-23-20-35-25-14-7-6-13-24(23)25/h5-8,11,13-15,20-21,26-27,29,33,35H,4,9-10,12,16-19H2,1-3H3,(H,34,38)(H,36,40)(H,37,39)/t26-,27+,29+/m0/s1

>  <InChI Key>
HXQKKWQVXQUWBQ-YIKNKFAXSA-N

