
 CHEMBL2381644

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.1531    0.7619    0.1177 C   0  0  0  0  0
   -0.2190    0.3170   -0.4149 C   0  0  0  0  0
   -0.4798   -1.0480    0.1657 C   0  0  0  0  0
   -0.4509   -1.3930    1.6386 C   0  0  0  0  0
    0.7876   -1.5622    0.7767 C   0  0  0  0  0
    1.8745   -0.5395    0.5354 C   0  0  0  0  0
    2.8352   -0.9667   -0.6036 C   0  0  0  0  0
    2.7080   -1.9056   -1.3746 O   0  0  0  0  0
    3.9238   -0.1620   -0.6976 O   0  0  0  0  0
    2.6475   -0.3904    1.7815 N   0  0  0  0  0
   -0.6018   -0.3997    2.7154 C   0  0  0  0  0
    0.1650    0.5147    2.9650 O   0  0  0  0  0
   -1.7151   -0.5980    3.4435 O   0  0  0  0  0
   -0.1181    0.1897   -1.8727 N   0  0  0  0  0
   -1.1460    0.4644   -2.5165 N   0  0  0  0  0
   -2.0902    0.7177   -3.1019 N   0  0  0  0  0
    1.7151    1.3469   -0.6202 H   0  0  0  0  0
    1.0046    1.4324    0.9698 H   0  0  0  0  0
   -0.9967    1.0347   -0.1254 H   0  0  0  0  0
   -1.0582   -1.6973   -0.4803 H   0  0  0  0  0
   -0.9508   -2.3275    1.8901 H   0  0  0  0  0
    1.1043   -2.5784    0.5727 H   0  0  0  0  0
    4.4379   -0.5711   -1.4247 H   0  0  0  0  0
    2.0520    0.0784    2.4726 H   0  0  0  0  0
    3.4095    0.2649    1.5949 H   0  0  0  0  0
   -1.6794    0.0963    4.1347 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 19  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 26  1  0  0  0
 14 15  2  0  0  0
 15 16  2  0  0  0
M  RAD  1  16   2
M  CHG  2  15   1  16  -1
M  END

>  <Chemical Name>
CHEMBL2381644

>  <PubChem CID>
71681823

>  <Formula>
C8H10N4O4

>  <Molecular Weight>
226.192000

>  <IUPAC Name>
(1S,2S,4R,5R,6S)-2-amino-4-azidobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

>  <XlogP>
-2.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C(C2C(C2C1(C(=O)O)N)C(=O)O)N=[N+]=[N-]

>  <Isomeric SMILES>
C1[C@H]([C@H]2[C@@H]([C@H]2[C@@]1(C(=O)O)N)C(=O)O)N=[N+]=[N-]

>  <InChI Std. ID>
InChI=1S/C8H10N4O4/c9-8(7(15)16)1-2(11-12-10)3-4(5(3)8)6(13)14/h2-5H,1,9H2,(H,13,14)(H,15,16)/t2-,3+,4+,5+,8+/m1/s1

>  <InChI Key>
OBUIZKQQNAWVEW-RTHBWCHNSA-N

