
 CHEMBL345381

 34 35  0  0  0  0  0  0  0  0999 V2000
   -1.4134   -0.3281    1.3664 C   0  0  0  0  0
   -1.6451    0.8368    2.3300 C   0  0  0  0  0
   -0.3886    1.6609    2.3634 N   0  0  0  0  0
    0.6772    0.6971    1.9980 C   0  0  0  0  0
    0.0591   -0.2383    0.9494 C   0  0  0  0  0
    0.7325   -1.6188    1.0541 C   0  0  0  0  0
    0.8449   -2.3074    2.0548 O   0  0  0  0  0
    1.2132   -2.0756   -0.1297 O   0  0  0  0  0
    0.2238    0.2541   -0.4391 N   0  0  0  0  0
   -0.2077    1.4615   -0.9310 C   0  0  0  0  0
   -0.8212    2.2850   -0.2623 O   0  0  0  0  0
    0.0913    1.7416   -2.3617 C   0  0  0  0  0
    1.2193    1.2122   -3.0023 C   0  0  0  0  0
    1.4706    1.5222   -4.3411 C   0  0  0  0  0
    0.6041    2.3631   -5.0398 C   0  0  0  0  0
   -0.5124    2.9025   -4.4025 C   0  0  0  0  0
   -0.7670    2.5969   -3.0646 C   0  0  0  0  0
   -1.9701    0.3841    3.7614 C   0  0  0  0  0
   -2.7720   -0.4844    4.0614 O   0  0  0  0  0
   -1.2719    1.1093    4.6743 O   0  0  0  0  0
   -1.6416   -1.2889    1.8421 H   0  0  0  0  0
   -2.0772   -0.2391    0.4983 H   0  0  0  0  0
   -2.4793    1.4706    2.0061 H   0  0  0  0  0
   -0.4781    2.2940    1.5448 H   0  0  0  0  0
    1.5576    1.2283    1.6199 H   0  0  0  0  0
    0.9841    0.1602    2.9036 H   0  0  0  0  0
    1.5754   -2.9609    0.0968 H   0  0  0  0  0
    0.6058   -0.4341   -1.0816 H   0  0  0  0  0
    1.9290    0.5854   -2.4709 H   0  0  0  0  0
    2.3497    1.1182   -4.8378 H   0  0  0  0  0
    0.8053    2.6075   -6.0803 H   0  0  0  0  0
   -1.1818    3.5664   -4.9445 H   0  0  0  0  0
   -1.6355    3.0289   -2.5713 H   0  0  0  0  0
   -0.6908    1.7146    4.1465 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL345381

>  <PubChem CID>
44370582

>  <Formula>
C13H14N2O5

>  <Molecular Weight>
278.264000

>  <IUPAC Name>
(2R,4R)-4-benzamidopyrrolidine-2,4-dicarboxylic acid

>  <XlogP>
-2.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(NCC1(C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O

>  <Isomeric SMILES>
C1[C@@H](NC[C@]1(C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C13H14N2O5/c16-10(8-4-2-1-3-5-8)15-13(12(19)20)6-9(11(17)18)14-7-13/h1-5,9,14H,6-7H2,(H,15,16)(H,17,18)(H,19,20)/t9-,13-/m1/s1

>  <InChI Key>
LAXVMLWOVAZJEG-NOZJJQNGSA-N

