
 CHEMBL385087

 86 89  0  0  0  0  0  0  0  0999 V2000
    0.4111    0.7314   -0.7056 C   0  0  0  0  0
    1.7551    1.2145   -0.1814 C   0  0  0  0  0
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   -0.4050    1.2114   -0.1566 H   0  0  0  0  0
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    8.9907   -1.3095    1.8415 H   0  0  0  0  0
    8.7207    0.3242    1.2970 H   0  0  0  0  0
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   13.2803   -2.6592    0.3920 H   0  0  0  0  0
   14.3585   -0.5421   -0.3249 H   0  0  0  0  0
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   11.8119    3.0373    1.2177 H   0  0  0  0  0
   10.7456    2.0492    2.2536 H   0  0  0  0  0
    9.8421    4.2508    2.3578 H   0  0  0  0  0
    8.7616    3.3232    1.2878 H   0  0  0  0  0
   10.0090    4.2610   -0.5773 H   0  0  0  0  0
    8.7128    6.1449    1.2830 H   0  0  0  0  0
    6.6429    5.3516    1.3763 H   0  0  0  0  0
    5.2843    4.7971   -1.2150 H   0  0  0  0  0
    4.2835    2.7883   -1.5387 H   0  0  0  0  0
    3.1492    4.9328   -0.0308 H   0  0  0  0  0
    4.7007    5.7093    2.4930 H   0  0  0  0  0
    3.7802    4.2136    2.2453 H   0  0  0  0  0
    2.9466    5.7650    2.2818 H   0  0  0  0  0
    4.8239    7.4378    0.5271 H   0  0  0  0  0
    3.0670    7.3533    0.3485 H   0  0  0  0  0
    4.1085    7.0078   -1.0388 H   0  0  0  0  0
    9.6079    6.6243   -1.6262 H   0  0  0  0  0
   10.4107    7.3067   -0.2492 H   0  0  0  0  0
    7.4867    7.3593   -2.4092 H   0  0  0  0  0
    5.8884    9.2144   -2.6079 H   0  0  0  0  0
    5.9375   11.0793   -1.0071 H   0  0  0  0  0
    6.9054   12.1883    0.9333 H   0  0  0  0  0
    8.5232   12.2509    2.7836 H   0  0  0  0  0
   10.1205   10.3816    3.1011 H   0  0  0  0  0
   10.1207    8.4767    1.5739 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL385087

>  <PubChem CID>
11433096

>  <Formula>
C34H44N4O4

>  <Molecular Weight>
572.750000

>  <IUPAC Name>
(7S,10R,13R)-13-(naphthalen-1-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>
5.8

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1C(=O)NCCCC2=CC=CC=C2OCCNC(C(=O)NC(C(=O)N1)C(C)C)CC3=CC=CC4=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=CC=CC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C34H44N4O4/c1-4-11-28-32(39)36-19-10-16-25-13-6-8-18-30(25)42-21-20-35-29(33(40)38-31(23(2)3)34(41)37-28)22-26-15-9-14-24-12-5-7-17-27(24)26/h5-9,12-15,17-18,23,28-29,31,35H,4,10-11,16,19-22H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)/t28-,29+,31+/m0/s1

>  <InChI Key>
DXNKOOLINCJBEM-ILJQZKEFSA-N

