
 CHEMBL1813448

 82 86  0  0  0  0  0  0  0  0999 V2000
    1.6642    1.2208    1.3326 C   0  0  0  0  0
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   11.2732   -6.7129   -8.5924 H   0  0  0  0  0
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   10.6714   -9.8221   -9.8710 H   0  0  0  0  0
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    3.4347    4.1447    4.0497 H   0  0  0  0  0
    3.1669    5.7821    3.4918 H   0  0  0  0  0
    4.3322    5.8230    5.6411 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1813448

>  <PubChem CID>
23577448

>  <Formula>
C32H41N3O6

>  <Molecular Weight>
563.695000

>  <IUPAC Name>
4-[4-[[(3R)-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1-propyl-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)C(C5CCCCC5)O

>  <Isomeric SMILES>
CCCN1C(=O)[C@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[C@@H](C5CCCCC5)O

>  <InChI Std. ID>
InChI=1S/C32H41N3O6/c1-2-18-35-29(37)27(28(36)23-6-4-3-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1

>  <InChI Key>
ANXCVWTTXMWENG-VSGBNLITSA-N

