
 SMR000118449

 58 58  0  0  0  0  0  0  0  0999 V2000
    2.1099    0.0614   -0.2909 C   0  0  0  0  0
    2.5609    1.0687   -1.3602 C   0  0  0  0  0
    1.6654    2.1807   -1.2726 O   0  0  0  0  0
    1.5499    2.9228   -2.4892 C   0  0  0  0  0
    0.4175    3.9491   -2.3353 C   0  0  0  0  0
   -0.8982    3.3878   -2.4894 O   0  0  0  0  0
   -1.2281    2.4344   -1.4756 C   0  0  0  0  0
   -2.7131    2.0327   -1.5888 C   0  0  0  0  0
   -3.1475    0.8408   -0.8110 N   0  0  0  0  0
   -2.4212   -0.3645   -1.2787 C   0  0  0  0  0
   -3.2366   -1.6688   -1.2459 C   0  0  0  0  0
   -2.3823   -2.7735   -1.5731 O   0  0  0  0  0
   -1.8263   -3.3845   -0.4010 C   0  0  0  0  0
   -0.6862   -4.3257   -0.8051 C   0  0  0  0  0
    0.5169   -3.9956   -0.0998 O   0  0  0  0  0
    1.2202   -2.9046   -0.7008 C   0  0  0  0  0
    2.1413   -2.2692    0.3580 C   0  0  0  0  0
    2.9573   -1.1521   -0.1869 N   0  0  0  0  0
    4.0849   -0.8436    0.7492 C   0  0  0  0  0
    5.1209   -1.9690    0.8267 C   0  0  0  0  0
    5.8004   -2.1889    1.8242 O   0  0  0  0  0
    5.3031   -2.6853   -0.3213 N   0  0  0  0  0
   -2.9127    1.0785    0.6397 C   0  0  0  0  0
   -3.6162    0.0341    1.5007 C   0  0  0  0  0
   -3.0281   -0.7400    2.2496 O   0  0  0  0  0
   -4.9770    0.0159    1.3800 N   0  0  0  0  0
    2.0123    0.5648    0.6813 H   0  0  0  0  0
    1.0794   -0.2043   -0.5550 H   0  0  0  0  0
    2.5083    0.6007   -2.3504 H   0  0  0  0  0
    3.5797    1.4266   -1.1853 H   0  0  0  0  0
    2.5002    3.4346   -2.6718 H   0  0  0  0  0
    1.3246    2.2448   -3.3198 H   0  0  0  0  0
    0.4725    4.4600   -1.3672 H   0  0  0  0  0
    0.5157    4.7034   -3.1225 H   0  0  0  0  0
   -0.6102    1.5472   -1.6251 H   0  0  0  0  0
   -1.0267    2.8608   -0.4866 H   0  0  0  0  0
   -3.3324    2.8931   -1.3014 H   0  0  0  0  0
   -2.9622    1.8716   -2.6464 H   0  0  0  0  0
   -2.1246   -0.2393   -2.3302 H   0  0  0  0  0
   -1.4734   -0.4907   -0.7409 H   0  0  0  0  0
   -3.7323   -1.8515   -0.2895 H   0  0  0  0  0
   -4.0192   -1.6232   -2.0114 H   0  0  0  0  0
   -1.4751   -2.6192    0.3006 H   0  0  0  0  0
   -2.6228   -3.9593    0.0845 H   0  0  0  0  0
   -0.9451   -5.3464   -0.5054 H   0  0  0  0  0
   -0.5030   -4.3349   -1.8862 H   0  0  0  0  0
    1.8143   -3.2968   -1.5344 H   0  0  0  0  0
    0.5146   -2.1700   -1.0996 H   0  0  0  0  0
    1.5480   -1.9430    1.2233 H   0  0  0  0  0
    2.7800   -3.0759    0.7378 H   0  0  0  0  0
    3.7098   -0.6497    1.7615 H   0  0  0  0  0
    4.6301    0.0417    0.4023 H   0  0  0  0  0
    4.5872   -2.6326   -1.0358 H   0  0  0  0  0
    5.8965   -3.5016   -0.2705 H   0  0  0  0  0
   -3.3257    2.0521    0.9340 H   0  0  0  0  0
   -1.8460    1.0814    0.8931 H   0  0  0  0  0
   -5.3939    0.4208    0.5492 H   0  0  0  0  0
   -5.4714   -0.7309    1.8493 H   0  0  0  0  0
  1 18  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 19 52  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 53  1  0  0  0
 22 54  1  0  0  0
 23 24  1  0  0  0
 23 55  1  0  0  0
 23 56  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
M  END

>  <Chemical Name>
SMR000118449

>  <PubChem CID>
2829034

>  <Formula>
C16H32N4O6

>  <Molecular Weight>
376.454000

>  <IUPAC Name>
2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide

>  <XlogP>
-2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1COCCOCCN(CCOCCOCCN1CC(=O)N)CC(=O)N

>  <Isomeric SMILES>
C1COCCOCCN(CCOCCOCCN1CC(=O)N)CC(=O)N

>  <InChI Std. ID>
InChI=1S/C16H32N4O6/c17-15(21)13-19-1-5-23-9-10-25-7-3-20(14-16(18)22)4-8-26-12-11-24-6-2-19/h1-14H2,(H2,17,21)(H2,18,22)

>  <InChI Key>
AXUHNKFJBCTBFC-UHFFFAOYSA-N

