
 proglumide

 50 50  0  0  0  0  0  0  0  0999 V2000
    1.0972    2.9530   -0.7654 C   0  0  0  0  0
    2.5430    2.7597   -0.3365 C   0  0  0  0  0
    3.2297    1.6797   -1.1735 C   0  0  0  0  0
    4.6129    1.4501   -0.7434 N   0  0  0  0  0
    4.8200    0.4302    0.2912 C   0  0  0  0  0
    4.6667   -1.0022   -0.2343 C   0  0  0  0  0
    5.5233   -1.3072   -1.4539 C   0  0  0  0  0
    5.6108    2.2351   -1.3213 C   0  0  0  0  0
    5.3268    3.1217   -2.1372 O   0  0  0  0  0
    7.0628    2.1352   -0.7982 C   0  0  0  0  0
    8.0758    2.2942   -1.9441 C   0  0  0  0  0
    9.5244    2.1728   -1.4584 C   0  0  0  0  0
   10.5082    2.2253   -2.5905 C   0  0  0  0  0
   10.2623    2.2687   -3.7845 O   0  0  0  0  0
   11.7830    2.2148   -2.1550 O   0  0  0  0  0
    7.1906    3.2413    0.1506 N   0  0  0  0  0
    7.9365    3.1563    1.3014 C   0  0  0  0  0
    8.4698    2.1167    1.6709 O   0  0  0  0  0
    8.0710    4.4064    2.1036 C   0  0  0  0  0
    8.3987    4.2898    3.4604 C   0  0  0  0  0
    8.5306    5.4311    4.2540 C   0  0  0  0  0
    8.3455    6.6946    3.6947 C   0  0  0  0  0
    8.0434    6.8207    2.3396 C   0  0  0  0  0
    7.9128    5.6813    1.5415 C   0  0  0  0  0
    0.6172    3.7205   -0.1504 H   0  0  0  0  0
    0.5280    2.0243   -0.6539 H   0  0  0  0  0
    1.0374    3.2686   -1.8118 H   0  0  0  0  0
    2.5694    2.4880    0.7251 H   0  0  0  0  0
    3.0812    3.7099   -0.4320 H   0  0  0  0  0
    3.2236    1.9738   -2.2297 H   0  0  0  0  0
    2.6738    0.7387   -1.1093 H   0  0  0  0  0
    4.0812    0.6042    1.0827 H   0  0  0  0  0
    5.7916    0.5400    0.7728 H   0  0  0  0  0
    3.6182   -1.1986   -0.4862 H   0  0  0  0  0
    4.9255   -1.7006    0.5702 H   0  0  0  0  0
    5.2256   -0.6966   -2.3125 H   0  0  0  0  0
    5.4043   -2.3567   -1.7420 H   0  0  0  0  0
    6.5826   -1.1277   -1.2497 H   0  0  0  0  0
    7.2639    1.1827   -0.3092 H   0  0  0  0  0
    7.9438    3.2619   -2.4460 H   0  0  0  0  0
    7.8769    1.5266   -2.7036 H   0  0  0  0  0
    9.6663    1.2236   -0.9307 H   0  0  0  0  0
    9.7646    3.0017   -0.7847 H   0  0  0  0  0
   12.3172    2.2528   -2.9755 H   0  0  0  0  0
    6.6867    4.0884   -0.0814 H   0  0  0  0  0
    8.5515    3.3075    3.9032 H   0  0  0  0  0
    8.7805    5.3329    5.3074 H   0  0  0  0  0
    8.4473    7.5828    4.3136 H   0  0  0  0  0
    7.9176    7.8083    1.9017 H   0  0  0  0  0
    7.7142    5.8159    0.4826 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 16  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  2  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
M  END

>  <Chemical Name>
proglumide

>  <PubChem CID>
4922

>  <Formula>
C18H26N2O4

>  <Molecular Weight>
334.416000

>  <IUPAC Name>
4-benzamido-5-(dipropylamino)-5-oxopentanoic acid

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1

>  <Isomeric SMILES>
CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1

>  <InChI Std. ID>
InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)

>  <InChI Key>
DGMKFQYCZXERLX-UHFFFAOYSA-N

