
 CHEMBL3906398

 63 66  0  0  0  0  0  0  0  0999 V2000
    0.0901   -9.4309    7.6523 C   0  0  0  0  0
    0.8594   -8.1442    7.5846 C   0  0  0  0  0
    0.6478   -7.1480    8.4564 C   0  0  0  0  0
    1.3659   -5.8643    8.4108 C   0  0  0  0  0
    1.1394   -4.9898    9.2387 O   0  0  0  0  0
    2.2915   -5.6987    7.3935 O   0  0  0  0  0
    2.5255   -6.7193    6.4512 C   0  0  0  0  0
    1.8549   -7.9397    6.5269 C   0  0  0  0  0
    2.1607   -8.9034    5.5661 C   0  0  0  0  0
    3.0751   -8.6282    4.5423 C   0  0  0  0  0
    3.6993   -7.3821    4.4469 C   0  0  0  0  0
    3.4433   -6.4306    5.4356 C   0  0  0  0  0
    4.5596   -7.0188    3.3869 N   0  0  0  0  0
    4.7810   -7.7510    2.2295 C   0  0  0  0  0
    4.2514   -8.8300    1.9619 O   0  0  0  0  0
    5.6998   -7.0398    1.2064 C   0  0  0  0  0
    7.1111   -6.7925    1.7446 C   0  0  0  0  0
    7.8266   -8.1119    1.4720 C   0  0  0  0  0
    7.2300   -8.5767    0.1525 C   0  0  0  0  0
    5.9364   -7.9181    0.0580 N   0  0  0  0  0
    5.1138   -8.1639   -1.0198 C   0  0  0  0  0
    5.4718   -8.9637   -1.8904 O   0  0  0  0  0
    3.7558   -7.4162   -1.1143 C   0  0  0  0  0
    3.3066   -7.2970   -2.5768 C   0  0  0  0  0
    2.8961   -8.6109   -3.2000 C   0  0  0  0  0
    1.7879   -9.1158   -3.0483 O   0  0  0  0  0
    3.8454   -9.2196   -3.9681 N   0  0  0  0  0
    2.7142   -7.9679   -0.2484 N   0  0  0  0  0
    1.5891   -7.2341    0.0794 C   0  0  0  0  0
    1.5001   -6.0375   -0.1916 O   0  0  0  0  0
    0.5563   -7.9696    0.9517 C   0  0  0  0  0
   -0.7728   -7.2333    1.0818 C   0  0  0  0  0
   -1.7798   -8.3432    1.3712 C   0  0  0  0  0
   -1.1728   -9.5265    0.6631 C   0  0  0  0  0
   -1.7432  -10.5649    0.3808 O   0  0  0  0  0
    0.1609   -9.2568    0.4388 N   0  0  0  0  0
   -0.6359   -9.4299    8.4724 H   0  0  0  0  0
    0.7636  -10.2793    7.8138 H   0  0  0  0  0
   -0.4705   -9.5964    6.7254 H   0  0  0  0  0
   -0.0814   -7.2301    9.2546 H   0  0  0  0  0
    1.6933   -9.8849    5.5763 H   0  0  0  0  0
    3.2688   -9.4266    3.8330 H   0  0  0  0  0
    3.9191   -5.4543    5.4212 H   0  0  0  0  0
    4.9684   -6.0928    3.4457 H   0  0  0  0  0
    5.2187   -6.1084    0.8956 H   0  0  0  0  0
    7.1571   -6.5125    2.8000 H   0  0  0  0  0
    7.5930   -5.9972    1.1608 H   0  0  0  0  0
    8.9139   -8.0025    1.4193 H   0  0  0  0  0
    7.5972   -8.8327    2.2653 H   0  0  0  0  0
    7.8395   -8.2604   -0.7011 H   0  0  0  0  0
    7.1071   -9.6640    0.1138 H   0  0  0  0  0
    3.9356   -6.3888   -0.7787 H   0  0  0  0  0
    4.1108   -6.8523   -3.1766 H   0  0  0  0  0
    2.4487   -6.6200   -2.6660 H   0  0  0  0  0
    4.8042   -9.1497   -3.6252 H   0  0  0  0  0
    3.5931  -10.1452   -4.2900 H   0  0  0  0  0
    2.8947   -8.8425    0.2421 H   0  0  0  0  0
    0.9995   -8.1342    1.9407 H   0  0  0  0  0
   -1.0438   -6.7354    0.1416 H   0  0  0  0  0
   -0.7591   -6.4700    1.8658 H   0  0  0  0  0
   -1.8477   -8.5608    2.4414 H   0  0  0  0  0
   -2.7687   -8.1070    0.9695 H   0  0  0  0  0
    0.7415   -9.8978   -0.0903 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  2  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 43  1  0  0  0
 13 14  1  0  0  0
 13 44  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 20  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 18 48  1  0  0  0
 18 49  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 19 51  1  0  0  0
 20 21  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 23 52  1  0  0  0
 24 25  1  0  0  0
 24 53  1  0  0  0
 24 54  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 55  1  0  0  0
 27 56  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 36  1  0  0  0
 31 32  1  0  0  0
 31 58  1  0  0  0
 32 33  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
 33 34  1  0  0  0
 33 61  1  0  0  0
 33 62  1  0  0  0
 34 36  1  0  0  0
 34 35  2  0  0  0
 36 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3906398

>  <PubChem CID>
10255308

>  <Formula>
C24H27N5O7

>  <Molecular Weight>
497.508000

>  <IUPAC Name>
(2S)-N-[(2S)-4-amino-1-[(2S)-2-[(4-methyl-2-oxochromen-7-yl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide

>  <XlogP>
-1.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3CCCN3C(=O)C(CC(=O)N)NC(=O)C4CCC(=O)N4

>  <Isomeric SMILES>
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCC(=O)N4

>  <InChI Std. ID>
InChI=1S/C24H27N5O7/c1-12-9-21(32)36-18-10-13(4-5-14(12)18)26-23(34)17-3-2-8-29(17)24(35)16(11-19(25)30)28-22(33)15-6-7-20(31)27-15/h4-5,9-10,15-17H,2-3,6-8,11H2,1H3,(H2,25,30)(H,26,34)(H,27,31)(H,28,33)/t15-,16-,17-/m0/s1

>  <InChI Key>
YSNGYDACLOQMCZ-ULQDDVLXSA-N

