
 CHEMBL3617564

107111  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3617564

>  <PubChem CID>
53377591

>  <Formula>
C40H57N7O3

>  <Molecular Weight>
683.942000

>  <IUPAC Name>
4-[(1R)-1-[8-tert-butyl-2-[3-(3,3-dimethylbutoxy)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

>  <XlogP>
8.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C)CCC(C1=CC=C(C=C1)C(=O)NCC2=NNN=N2)N3C(=O)C(=NC34CCC(CC4)C(C)(C)C)C5=CC(=CC=C5)OCCC(C)(C)C

>  <Isomeric SMILES>
CC(C)(C)CC[C@H](C1=CC=C(C=C1)C(=O)NCC2=NNN=N2)N3C(=O)C(=NC34CCC(CC4)C(C)(C)C)C5=CC(=CC=C5)OCCC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C40H57N7O3/c1-37(2,3)20-19-32(27-13-15-28(16-14-27)35(48)41-26-33-43-45-46-44-33)47-36(49)34(42-40(47)21-17-30(18-22-40)39(7,8)9)29-11-10-12-31(25-29)50-24-23-38(4,5)6/h10-16,25,30,32H,17-24,26H2,1-9H3,(H,41,48)(H,43,44,45,46)/t30?,32-,40?/m1/s1

>  <InChI Key>
BKPCTAJENJTTAU-WHPMNUFOSA-N

