
 CHEMBL304238

 47 48  0  0  0  0  0  0  0  0999 V2000
    3.0262    1.4342   -4.6809 C   0  0  0  0  0
    2.5316    2.2295   -3.4762 C   0  0  0  0  0
    1.0841    1.8685   -3.1619 C   0  0  0  0  0
    3.3075    1.9161   -2.3023 O   0  0  0  0  0
    4.5206    2.5162   -2.2219 C   0  0  0  0  0
    5.0215    3.2085   -3.0920 O   0  0  0  0  0
    5.0798    2.2323   -1.0078 N   0  0  0  0  0
    6.2633    2.9358   -0.5006 C   0  0  0  0  0
    7.4690    2.8240   -1.4554 C   0  0  0  0  0
    8.7691    3.3462   -0.9197 C   0  0  0  0  0
    9.3465    4.5509   -1.2766 C   0  0  0  0  0
   10.5127    4.6973   -0.5810 N   0  0  0  0  0
   10.7204    3.6050    0.2267 C   0  0  0  0  0
   11.7758    3.3287    1.1037 C   0  0  0  0  0
   11.7458    2.1130    1.7900 C   0  0  0  0  0
   10.7000    1.2123    1.6048 C   0  0  0  0  0
    9.6468    1.5073    0.7288 C   0  0  0  0  0
    9.6519    2.7285    0.0238 C   0  0  0  0  0
    5.8718    4.3915   -0.1164 C   0  0  0  0  0
    4.8087    4.9154   -0.4476 O   0  0  0  0  0
    6.7737    5.0570    0.6902 N   0  0  0  0  0
    6.6595    6.4875    0.9347 C   0  0  0  0  0
    5.5642    6.8341    1.9418 C   0  0  0  0  0
    5.8328    6.1962    3.1899 O   0  0  0  0  0
    4.0505    1.7129   -4.9470 H   0  0  0  0  0
    2.3919    1.6090   -5.5557 H   0  0  0  0  0
    3.0399    0.3609   -4.4634 H   0  0  0  0  0
    2.5826    3.3066   -3.6805 H   0  0  0  0  0
    0.9851    0.7995   -2.9421 H   0  0  0  0  0
    0.4221    2.1163   -3.9974 H   0  0  0  0  0
    0.7400    2.4061   -2.2718 H   0  0  0  0  0
    4.4159    1.8525   -0.3464 H   0  0  0  0  0
    6.5046    2.4260    0.4415 H   0  0  0  0  0
    7.2665    3.3515   -2.3937 H   0  0  0  0  0
    7.6093    1.7689   -1.7274 H   0  0  0  0  0
    9.0165    5.3151   -1.9695 H   0  0  0  0  0
   11.1416    5.4854   -0.6544 H   0  0  0  0  0
   12.5963    4.0258    1.2422 H   0  0  0  0  0
   12.5564    1.8653    2.4719 H   0  0  0  0  0
   10.7045    0.2666    2.1418 H   0  0  0  0  0
    8.8449    0.7885    0.5892 H   0  0  0  0  0
    7.6745    4.6296    0.8758 H   0  0  0  0  0
    6.4755    6.9932   -0.0191 H   0  0  0  0  0
    7.6332    6.8087    1.3201 H   0  0  0  0  0
    4.5736    6.5199    1.6009 H   0  0  0  0  0
    5.5406    7.9145    2.1136 H   0  0  0  0  0
    5.8665    5.2434    2.9904 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  4  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8 19  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 18  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL304238

>  <PubChem CID>
44301885

>  <Formula>
C17H23N3O4

>  <Molecular Weight>
333.388000

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

>  <XlogP>
1.300

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C17H23N3O4/c1-11(2)24-17(23)20-15(16(22)18-7-8-21)9-12-10-19-14-6-4-3-5-13(12)14/h3-6,10-11,15,19,21H,7-9H2,1-2H3,(H,18,22)(H,20,23)/t15-/m0/s1

>  <InChI Key>
AJSTWDJCOSAIMU-HNNXBMFYSA-N

