
 Dcg-IV

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.1123    0.7605   -0.0646 C   0  0  0  0  0
   -0.7912   -0.5596    0.2541 C   0  0  0  0  0
    0.7112   -0.5089    0.0534 C   0  0  0  0  0
    1.6012   -0.7040    1.2094 C   0  0  0  0  0
    1.4611   -0.1607    2.2931 O   0  0  0  0  0
    2.5884   -1.5869    0.9776 O   0  0  0  0  0
   -1.6222   -1.2957   -0.7150 C   0  0  0  0  0
   -1.3057   -1.5482   -1.8637 O   0  0  0  0  0
   -2.8063   -1.6812   -0.2055 O   0  0  0  0  0
   -0.2360    1.4579   -1.3898 C   0  0  0  0  0
   -1.2331    2.6279   -1.3551 C   0  0  0  0  0
   -1.0255    3.7678   -1.7467 O   0  0  0  0  0
   -2.4384    2.2920   -0.8529 O   0  0  0  0  0
    1.1167    1.9545   -1.7238 N   0  0  0  0  0
   -0.0383    1.4744    0.7523 H   0  0  0  0  0
   -1.1413   -0.6576    1.2795 H   0  0  0  0  0
    1.0995   -0.9200   -0.8754 H   0  0  0  0  0
    3.0853   -1.6132    1.8210 H   0  0  0  0  0
   -3.2404   -2.1489   -0.9488 H   0  0  0  0  0
   -0.5510    0.7882   -2.1941 H   0  0  0  0  0
   -2.9548    3.1246   -0.8959 H   0  0  0  0  0
    1.3570    2.7022   -1.0707 H   0  0  0  0  0
    1.0551    2.4277   -2.6284 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 18  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 19  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 10 20  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 21  1  0  0  0
 14 22  1  0  0  0
 14 23  1  0  0  0
M  END

>  <Chemical Name>
Dcg-IV

>  <PubChem CID>
5310979

>  <Formula>
C7H9NO6

>  <Molecular Weight>
203.150000

>  <IUPAC Name>
(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid

>  <XlogP>
-4.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1(C(C1C(=O)O)C(=O)O)C(C(=O)O)N

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

>  <InChI Std. ID>
InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1

>  <InChI Key>
MATPZHBYOVDBLI-JJYYJPOSSA-N

