
 CHEMBL420258

 44 44  0  0  0  0  0  0  0  0999 V2000
    2.5453   -1.3428   -0.5665 C   0  0  0  0  0
    2.4061   -0.1840   -1.5534 C   0  0  0  0  0
    0.9540   -0.0909   -2.0330 C   0  0  0  0  0
    2.8435    1.1646   -0.9476 C   0  0  0  0  0
    4.3171    1.2684   -0.5227 C   0  0  0  0  0
    5.2655    1.1523   -1.7322 C   0  0  0  0  0
    5.6256    2.1367   -2.3805 O   0  0  0  0  0
    5.6350   -0.1337   -2.0576 N   0  0  0  0  0
    6.6154   -0.3750   -3.0979 C   0  0  0  0  0
    8.0161   -0.4216   -2.4906 C   0  0  0  0  0
    8.2426   -0.7620   -1.3326 O   0  0  0  0  0
    9.0379   -0.1362   -3.3501 N   0  0  0  0  0
    4.5741    2.5782    0.0758 N   0  0  0  0  0
    4.4421    2.8147    1.4254 C   0  0  0  0  0
    4.1154    1.9339    2.2132 O   0  0  0  0  0
    4.8125    4.2321    1.8328 C   0  0  0  0  0
    3.9644    5.2942    1.1366 C   0  0  0  0  0
    3.8154    6.3815    2.1827 C   0  0  0  0  0
    3.6743    5.6234    3.4166 N   0  0  0  0  0
    4.6274    4.5104    3.3263 C   0  0  0  0  0
    3.5855   -1.4956   -0.2660 H   0  0  0  0  0
    2.1992   -2.2787   -1.0193 H   0  0  0  0  0
    1.9526   -1.1673    0.3379 H   0  0  0  0  0
    3.0190   -0.4021   -2.4347 H   0  0  0  0  0
    0.2699    0.1019   -1.1997 H   0  0  0  0  0
    0.6448   -1.0235   -2.5172 H   0  0  0  0  0
    0.8361    0.7167   -2.7637 H   0  0  0  0  0
    2.2066    1.3864   -0.0799 H   0  0  0  0  0
    2.6357    1.9578   -1.6799 H   0  0  0  0  0
    4.5725    0.5016    0.2154 H   0  0  0  0  0
    5.6077   -0.8209   -1.3122 H   0  0  0  0  0
    6.5552    0.3971   -3.8710 H   0  0  0  0  0
    6.3989   -1.3525   -3.5386 H   0  0  0  0  0
    8.8807    0.3602   -4.2171 H   0  0  0  0  0
    9.9664   -0.0977   -2.9493 H   0  0  0  0  0
    4.9092    3.3060   -0.5479 H   0  0  0  0  0
    5.8702    4.3797    1.5766 H   0  0  0  0  0
    2.9816    4.8963    0.8542 H   0  0  0  0  0
    4.4463    5.6719    0.2297 H   0  0  0  0  0
    4.7092    7.0155    2.2197 H   0  0  0  0  0
    2.9440    7.0156    1.9950 H   0  0  0  0  0
    3.8598    6.1983    4.2367 H   0  0  0  0  0
    5.5867    4.8230    3.7587 H   0  0  0  0  0
    4.2670    3.6593    3.9112 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 13  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  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 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL420258

>  <PubChem CID>
44329584

>  <Formula>
C13H24N4O3

>  <Molecular Weight>
284.360000

>  <IUPAC Name>
(3R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-3-carboxamide

>  <XlogP>
-0.8

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCNC1

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCNC1

>  <InChI Std. ID>
InChI=1S/C13H24N4O3/c1-8(2)5-10(13(20)16-7-11(14)18)17-12(19)9-3-4-15-6-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,20)(H,17,19)/t9-,10+/m1/s1

>  <InChI Key>
ARZDSJASHXAAOD-ZJUUUORDSA-N

