
 CHEMBL103501

 71 76  0  0  0  0  0  0  0  0999 V2000
    2.3455    1.5366   -0.1314 C   0  0  0  0  0
    2.7684    2.5249   -1.2199 C   0  0  0  0  0
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    3.3144    3.7390   -0.6387 N   0  0  0  0  0
    4.5520    3.9156   -0.1000 C   0  0  0  0  0
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    9.8080   -1.3661    1.5638 C   0  0  0  0  0
    9.1688   -0.6706    0.5346 C   0  0  0  0  0
    6.9391    2.8649    1.6990 C   0  0  0  0  0
    5.8803    2.6604    2.5985 C   0  0  0  0  0
    6.1158    2.5412    3.9735 C   0  0  0  0  0
    7.4082    2.6307    4.4888 C   0  0  0  0  0
    8.4723    2.8314    3.6153 C   0  0  0  0  0
    8.2389    2.9550    2.2400 C   0  0  0  0  0
    7.5044    2.4809    5.8447 O   0  0  0  0  0
    8.7067    2.9510    6.4432 C   0  0  0  0  0
    3.1920    1.2708    0.5106 H   0  0  0  0  0
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    3.5751    2.0659   -1.8050 H   0  0  0  0  0
    0.6468    4.3374   -0.9204 H   0  0  0  0  0
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   -1.3700    3.4782   -4.5960 H   0  0  0  0  0
    0.3148    1.7399   -5.1317 H   0  0  0  0  0
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    8.0364    0.4469   -3.2827 H   0  0  0  0  0
   12.5739    2.5172   -3.4493 H   0  0  0  0  0
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   11.5985   -1.5646   -5.4847 H   0  0  0  0  0
    7.3237   -0.0812   -1.3598 H   0  0  0  0  0
    6.0481    0.3808   -0.3072 H   0  0  0  0  0
    6.1332   -0.2389    2.0171 H   0  0  0  0  0
    7.2835   -1.4258    3.8361 H   0  0  0  0  0
    9.6310   -2.1740    3.5540 H   0  0  0  0  0
   10.8349   -1.6993    1.4375 H   0  0  0  0  0
    9.7139   -0.4757   -0.3860 H   0  0  0  0  0
    4.8529    2.5876    2.2536 H   0  0  0  0  0
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    9.4980    2.8803    3.9645 H   0  0  0  0  0
    9.0981    3.1077    1.5894 H   0  0  0  0  0
    8.5956    2.8629    7.5283 H   0  0  0  0  0
    8.8764    4.0075    6.2088 H   0  0  0  0  0
    9.5647    2.3380    6.1493 H   0  0  0  0  0
  1  2  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
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  2  9  1  0  0  0
  2  3  1  0  0  0
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  3  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL103501

>  <PubChem CID>
15410997

>  <Formula>
C34H29NO7

>  <Molecular Weight>
563.606000

>  <IUPAC Name>
[4-(1,3-benzodioxol-5-yl)-3-benzyl-2-(4-methoxyphenyl)-5-oxofuran-2-yl] N-[(1S)-1-phenylethyl]carbamate

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C1=CC=CC=C1)NC(=O)OC2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)C6=CC=C(C=C6)OC

>  <Isomeric SMILES>
C[C@@H](C1=CC=CC=C1)NC(=O)OC2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)C6=CC=C(C=C6)OC

>  <InChI Std. ID>
InChI=1S/C34H29NO7/c1-22(24-11-7-4-8-12-24)35-33(37)42-34(26-14-16-27(38-2)17-15-26)28(19-23-9-5-3-6-10-23)31(32(36)41-34)25-13-18-29-30(20-25)40-21-39-29/h3-18,20,22H,19,21H2,1-2H3,(H,35,37)/t22-,34?/m0/s1

>  <InChI Key>
AVTITURLDNGPIM-DAXAVGQISA-N

