
 CHEMBL3984464

 82 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3984464

>  <PubChem CID>
134156579

>  <Formula>
C32H40F2N4O4

>  <Molecular Weight>
582.693000

>  <IUPAC Name>
(2Z,7S,13S)-13-[(2S)-butan-2-yl]-7-[(3,4-difluorophenyl)methyl]spiro[17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),2,18,20-tetraene-10,1'-cyclopentane]-6,9,12-trione

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C1C(=O)NC2(CCCC2)C(=O)NC(C(=O)NCC=CC3=CC=CC=C3OCCN1)CC4=CC(=C(C=C4)F)F

>  <Isomeric SMILES>
CC[C@H](C)[C@H]1C(=O)NC2(CCCC2)C(=O)N[C@H](C(=O)NC/C=C\C3=CC=CC=C3OCCN1)CC4=CC(=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C32H40F2N4O4/c1-3-21(2)28-30(40)38-32(14-6-7-15-32)31(41)37-26(20-22-12-13-24(33)25(34)19-22)29(39)36-16-8-10-23-9-4-5-11-27(23)42-18-17-35-28/h4-5,8-13,19,21,26,28,35H,3,6-7,14-18,20H2,1-2H3,(H,36,39)(H,37,41)(H,38,40)/b10-8-/t21-,26-,28-/m0/s1

>  <InChI Key>
AGBRJUKCZYBIJH-QUOOTNRESA-N

