
 CHEMBL294570

 50 51  0  0  0  0  0  0  0  0999 V2000
   13.7343    2.0883    8.1163 C   0  0  0  0  0
   13.0858    2.3960    6.7647 C   0  0  0  0  0
   13.7817    1.6099    5.6545 C   0  0  0  0  0
   11.5821    2.0928    6.8300 C   0  0  0  0  0
   10.8933    2.2983    5.5844 O   0  0  0  0  0
   10.5427    3.5756    5.2985 C   0  0  0  0  0
   10.9387    4.5679    5.8891 O   0  0  0  0  0
    9.6414    3.5641    4.2787 N   0  0  0  0  0
    8.8080    4.7139    3.8973 C   0  0  0  0  0
    8.1178    5.4570    5.0592 C   0  0  0  0  0
    7.1574    4.6363    5.8694 C   0  0  0  0  0
    7.4612    3.8949    6.9953 C   0  0  0  0  0
    6.2979    3.3913    7.5090 N   0  0  0  0  0
    5.2272    3.7967    6.7486 C   0  0  0  0  0
    3.8573    3.5643    6.9269 C   0  0  0  0  0
    2.9785    4.1224    5.9946 C   0  0  0  0  0
    3.4540    4.8764    4.9248 C   0  0  0  0  0
    4.8268    5.1033    4.7647 C   0  0  0  0  0
    5.7358    4.5587    5.6963 C   0  0  0  0  0
    9.5307    5.7608    3.0145 C   0  0  0  0  0
    8.9810    6.8026    2.6566 O   0  0  0  0  0
   10.7965    5.4270    2.5930 N   0  0  0  0  0
   11.5855    6.3067    1.7492 C   0  0  0  0  0
   11.4295    5.9794    0.2643 C   0  0  0  0  0
   12.0392    4.7232   -0.0383 O   0  0  0  0  0
   13.2747    2.6813    8.9139 H   0  0  0  0  0
   14.8044    2.3201    8.1003 H   0  0  0  0  0
   13.6237    1.0296    8.3774 H   0  0  0  0  0
   13.2265    3.4615    6.5485 H   0  0  0  0  0
   13.7016    0.5306    5.8208 H   0  0  0  0  0
   14.8463    1.8656    5.6141 H   0  0  0  0  0
   13.3500    1.8392    4.6755 H   0  0  0  0  0
   11.0975    2.6798    7.6210 H   0  0  0  0  0
   11.4278    1.0397    7.0911 H   0  0  0  0  0
    9.2913    2.6418    4.0595 H   0  0  0  0  0
    8.0351    4.2820    3.2468 H   0  0  0  0  0
    7.5644    6.3191    4.6634 H   0  0  0  0  0
    8.8652    5.8959    5.7314 H   0  0  0  0  0
    8.4042    3.7193    7.4960 H   0  0  0  0  0
    6.2237    2.8380    8.3511 H   0  0  0  0  0
    3.4835    2.9857    7.7652 H   0  0  0  0  0
    1.9079    3.9703    6.1111 H   0  0  0  0  0
    2.7531    5.3048    4.2124 H   0  0  0  0  0
    5.1811    5.7092    3.9357 H   0  0  0  0  0
   11.1393    4.4953    2.7951 H   0  0  0  0  0
   12.6273    6.1843    2.0607 H   0  0  0  0  0
   11.2858    7.3445    1.9304 H   0  0  0  0  0
   11.9145    6.7459   -0.3497 H   0  0  0  0  0
   10.3755    5.9231   -0.0244 H   0  0  0  0  0
   13.0016    4.8478    0.0279 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 20  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 19  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 25 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL294570

>  <PubChem CID>
44301887

>  <Formula>
C18H25N3O4

>  <Molecular Weight>
347.415000

>  <IUPAC Name>
2-methylpropyl N-[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

>  <XlogP>
1.900

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)COC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCO

>  <Isomeric SMILES>
CC(C)COC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCO

>  <InChI Std. ID>
InChI=1S/C18H25N3O4/c1-12(2)11-25-18(24)21-16(17(23)19-7-8-22)9-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,12,16,20,22H,7-9,11H2,1-2H3,(H,19,23)(H,21,24)/t16-/m0/s1

>  <InChI Key>
GIUQDKGIEHCREO-INIZCTEOSA-N

