
 CHEMBL59060

 63 66  0  0  0  0  0  0  0  0999 V2000
    3.1541    2.8204    2.5912 C   0  0  0  0  0
    2.7395    1.4621    2.0194 C   0  0  0  0  0
    1.2435    1.2443    2.2229 C   0  0  0  0  0
    3.1033    1.3131    0.5338 C   0  0  0  0  0
    4.5256    1.4070    0.3751 O   0  0  0  0  0
    5.0012    2.6175    0.0106 C   0  0  0  0  0
    4.3386    3.5781   -0.3424 O   0  0  0  0  0
    6.3393    2.6325    0.2016 N   0  0  0  0  0
    7.1196    3.8578    0.1689 C   0  0  0  0  0
    6.9959    4.6511    1.4760 C   0  0  0  0  0
    7.7621    5.9374    1.4563 C   0  0  0  0  0
    9.0416    6.1247    1.9425 C   0  0  0  0  0
    9.3985    7.4270    1.7296 N   0  0  0  0  0
    8.3764    8.1032    1.1058 C   0  0  0  0  0
    8.3021    9.4386    0.6931 C   0  0  0  0  0
    7.1155    9.8653    0.0915 C   0  0  0  0  0
    6.0471    8.9890   -0.0878 C   0  0  0  0  0
    6.1401    7.6542    0.3263 C   0  0  0  0  0
    7.3284    7.1979    0.9339 C   0  0  0  0  0
    8.5610    3.3979   -0.0654 C   0  0  0  0  0
    9.0762    2.4854    0.5873 O   0  0  0  0  0
    9.1907    4.0313   -1.1112 N   0  0  0  0  0
   10.5424    3.6816   -1.4996 C   0  0  0  0  0
   10.9062    4.2899   -2.8494 C   0  0  0  0  0
   12.2761    3.9065   -3.2981 C   0  0  0  0  0
   12.5985    2.8505   -4.1276 C   0  0  0  0  0
   13.9560    2.8392   -4.2991 N   0  0  0  0  0
   14.5331    3.8706   -3.5961 C   0  0  0  0  0
   15.8774    4.2429   -3.4824 C   0  0  0  0  0
   16.1772    5.3514   -2.6849 C   0  0  0  0  0
   15.1715    6.0559   -2.0276 C   0  0  0  0  0
   13.8324    5.6701   -2.1530 C   0  0  0  0  0
   13.5032    4.5572   -2.9538 C   0  0  0  0  0
    4.2432    2.9330    2.5988 H   0  0  0  0  0
    2.8167    2.9284    3.6276 H   0  0  0  0  0
    2.7278    3.6443    2.0094 H   0  0  0  0  0
    3.2855    0.6947    2.5833 H   0  0  0  0  0
    0.6574    2.0093    1.7034 H   0  0  0  0  0
    0.9889    1.2865    3.2875 H   0  0  0  0  0
    0.9374    0.2635    1.8450 H   0  0  0  0  0
    2.5669    2.0373   -0.0924 H   0  0  0  0  0
    2.8150    0.3173    0.1787 H   0  0  0  0  0
    6.7571    1.8009    0.6061 H   0  0  0  0  0
    6.7705    4.4614   -0.6787 H   0  0  0  0  0
    7.3372    4.0392    2.3222 H   0  0  0  0  0
    5.9387    4.8705    1.6785 H   0  0  0  0  0
    9.7269    5.4359    2.4219 H   0  0  0  0  0
   10.2820    7.8401    1.9935 H   0  0  0  0  0
    9.1304   10.1252    0.8370 H   0  0  0  0  0
    7.0236   10.8985   -0.2369 H   0  0  0  0  0
    5.1297    9.3438   -0.5501 H   0  0  0  0  0
    5.2977    6.9832    0.1839 H   0  0  0  0  0
    8.8096    4.9171   -1.4240 H   0  0  0  0  0
   10.6199    2.5880   -1.5303 H   0  0  0  0  0
   11.2165    4.0331   -0.7072 H   0  0  0  0  0
   10.8285    5.3841   -2.7935 H   0  0  0  0  0
   10.1724    3.9775   -3.6034 H   0  0  0  0  0
   11.9767    2.1074   -4.6091 H   0  0  0  0  0
   14.4677    2.1718   -4.8603 H   0  0  0  0  0
   16.6637    3.6958   -3.9922 H   0  0  0  0  0
   17.2121    5.6665   -2.5768 H   0  0  0  0  0
   15.4275    6.9141   -1.4119 H   0  0  0  0  0
   13.0569    6.2270   -1.6370 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4 41  1  0  0  0
  4 42  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 43  1  0  0  0
  9 20  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 10 46  1  0  0  0
 11 19  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 13 14  1  0  0  0
 13 48  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 16 17  2  0  0  0
 16 50  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 18 19  2  0  0  0
 18 52  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 23 55  1  0  0  0
 24 25  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 33  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 58  1  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 28 33  1  0  0  0
 28 29  2  0  0  0
 29 30  1  0  0  0
 29 60  1  0  0  0
 30 31  2  0  0  0
 30 61  1  0  0  0
 31 32  1  0  0  0
 31 62  1  0  0  0
 32 33  2  0  0  0
 32 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL59060

>  <PubChem CID>
44302017

>  <Formula>
C26H30N4O3

>  <Molecular Weight>
446.551000

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

>  <XlogP>
4.400

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)COC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
CC(C)COC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C26H30N4O3/c1-17(2)16-33-26(32)30-24(13-19-15-29-23-10-6-4-8-21(19)23)25(31)27-12-11-18-14-28-22-9-5-3-7-20(18)22/h3-10,14-15,17,24,28-29H,11-13,16H2,1-2H3,(H,27,31)(H,30,32)/t24-/m0/s1

>  <InChI Key>
BZDXMLXOSGUXDE-DEOSSOPVSA-N

