
 SCHEMBL2684181

 51 54  0  0  0  0  0  0  0  0999 V2000
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   11.7120   -0.6627    1.8928 C   0  0  0  0  0
   12.5978   -1.2031    2.5431 O   0  0  0  0  0
   11.8277    0.7769    1.4246 C   0  0  0  0  0
   13.0885    1.5221    1.9536 C   0  0  0  0  0
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   12.8904    3.1519    0.3140 C   0  0  0  0  0
   13.2543    1.7913   -0.2808 C   0  0  0  0  0
   12.0242    0.8462   -0.1419 C   0  0  0  0  0
   10.7807    1.3146   -0.8625 C   0  0  0  0  0
    9.7109    1.4841   -0.2792 O   0  0  0  0  0
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    7.3912   -4.4999    1.1572 H   0  0  0  0  0
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   13.4135    1.3104    2.9734 H   0  0  0  0  0
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    9.3950    0.7461   -6.8994 H   0  0  0  0  0
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   15.9502    1.6890    1.9942 H   0  0  0  0  0
   16.1039    1.9366    0.1967 H   0  0  0  0  0
   15.2072   -0.3955   -0.1898 H   0  0  0  0  0
   15.0489   -0.6329    1.6076 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2684181

>  <PubChem CID>
67496430

>  <Formula>
C20H24N4O3

>  <Molecular Weight>
368.437000

>  <IUPAC Name>
(1R,2R,3R,4S)-2-N-(3-amino-3-oxopropyl)-3-N-(5-methylpyridin-2-yl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)NCCC(=O)N)C34CC4

>  <Isomeric SMILES>
CC1=CN=C(C=C1)NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCC(=O)N)C34CC4

>  <InChI Std. ID>
InChI=1S/C20H24N4O3/c1-11-2-5-15(23-10-11)24-19(27)17-13-4-3-12(20(13)7-8-20)16(17)18(26)22-9-6-14(21)25/h2-5,10,12-13,16-17H,6-9H2,1H3,(H2,21,25)(H,22,26)(H,23,24,27)/t12-,13+,16-,17-/m1/s1

>  <InChI Key>
AXAUYLIQBGTNNJ-DLTLXFJOSA-N

