
 CHEMBL479797

 25 24  0  0  0  0  0  0  0  0999 V2000
   -0.1672    0.9989   -0.2369 C   0  0  0  0  0
    0.1524    1.3947    1.2211 C   0  0  0  0  0
    0.6379    2.8457    1.2652 C   0  0  0  0  0
    1.1942    3.2170    2.6117 C   0  0  0  0  0
    1.9770    2.5696    3.2839 O   0  0  0  0  0
    0.7798    4.4315    3.0191 O   0  0  0  0  0
   -1.0873    1.2765    2.0769 C   0  0  0  0  0
   -2.2333    1.5045    1.7262 O   0  0  0  0  0
   -0.8192    0.9171    3.3437 O   0  0  0  0  0
   -0.6989   -0.4314   -0.4153 C   0  0  0  0  0
   -0.9872   -0.7155   -1.8969 C   0  0  0  0  0
   -0.4806   -1.5968   -2.5753 O   0  0  0  0  0
   -1.9203    0.0992   -2.4252 O   0  0  0  0  0
    0.2853   -1.4087    0.1001 N   0  0  0  0  0
   -0.9025    1.7046   -0.6471 H   0  0  0  0  0
    0.7373    1.1269   -0.8479 H   0  0  0  0  0
    0.9205    0.7202    1.6183 H   0  0  0  0  0
   -0.1845    3.5278    1.0160 H   0  0  0  0  0
    1.4376    3.0141    0.5346 H   0  0  0  0  0
    1.2322    4.5632    3.8789 H   0  0  0  0  0
   -1.6932    0.8626    3.7823 H   0  0  0  0  0
   -1.6374   -0.5812    0.1283 H   0  0  0  0  0
   -2.0245   -0.2146   -3.3481 H   0  0  0  0  0
    1.1178   -1.3726   -0.4939 H   0  0  0  0  0
   -0.0864   -2.3479   -0.0646 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 20  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 21  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 23  1  0  0  0
 14 24  1  0  0  0
 14 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL479797

>  <PubChem CID>
24905703

>  <Formula>
C7H11NO6

>  <Molecular Weight>
205.166000

>  <IUPAC Name>
(2S,4S)-4-aminobutane-1,2,4-tricarboxylic acid

>  <XlogP>
-4.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C(C(CC(=O)O)C(=O)O)C(C(=O)O)N

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

>  <InChI Std. ID>
InChI=1S/C7H11NO6/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4-/m0/s1

>  <InChI Key>
QUHCPZVRCOASQB-IMJSIDKUSA-N

