
 CHEMBL3633717

 56 58  0  0  0  0  0  0  0  0999 V2000
    1.9572    0.2131    1.3065 C   0  0  0  0  0
    3.0480    0.9409    2.0894 C   0  0  0  0  0
    3.8255   -0.0385    2.9570 C   0  0  0  0  0
    3.3792   -0.2944    4.2654 C   0  0  0  0  0
    4.0346   -1.2192    5.0816 C   0  0  0  0  0
    5.1488   -1.9030    4.6030 C   0  0  0  0  0
    5.6037   -1.6658    3.3083 C   0  0  0  0  0
    4.9444   -0.7457    2.4877 C   0  0  0  0  0
    3.9058    1.6685    1.1706 N   0  0  0  0  0
    4.2460    2.9926    1.3322 C   0  0  0  0  0
    3.7947    3.6963    2.2318 O   0  0  0  0  0
    5.2125    3.5405    0.2576 C   0  0  0  0  0
    6.3342    4.3142    0.9724 C   0  0  0  0  0
    7.3983    4.8850    0.0633 C   0  0  0  0  0
    8.7414    4.5216    0.2357 C   0  0  0  0  0
    9.7338    5.0643   -0.5822 C   0  0  0  0  0
    9.3952    5.9787   -1.5769 C   0  0  0  0  0
    8.0642    6.3501   -1.7551 C   0  0  0  0  0
    7.0701    5.8081   -0.9384 C   0  0  0  0  0
    5.7433    2.4537   -0.5830 N   0  0  0  0  0
    5.5489    2.4396   -1.9483 C   0  0  0  0  0
    4.8997    3.2806   -2.5564 O   0  0  0  0  0
    6.1777    1.3134   -2.6841 C   0  0  0  0  0
    6.2332    0.0298   -2.1311 C   0  0  0  0  0
    6.7551   -1.0344   -2.8717 C   0  0  0  0  0
    7.2608   -0.8017   -4.1515 C   0  0  0  0  0
    7.2111    0.4803   -4.7046 C   0  0  0  0  0
    6.6573    1.5359   -3.9789 C   0  0  0  0  0
    6.7362   -2.2442   -2.2354 O   0  0  0  0  0
    6.6786   -3.3838   -3.0885 C   0  0  0  0  0
    1.3739    0.9233    0.7100 H   0  0  0  0  0
    1.2686   -0.3119    1.9773 H   0  0  0  0  0
    2.3829   -0.5249    0.6167 H   0  0  0  0  0
    2.5667    1.6730    2.7495 H   0  0  0  0  0
    2.5080    0.2265    4.6586 H   0  0  0  0  0
    3.6728   -1.4061    6.0894 H   0  0  0  0  0
    5.6595   -2.6222    5.2380 H   0  0  0  0  0
    6.4725   -2.2030    2.9343 H   0  0  0  0  0
    5.3150   -0.5949    1.4790 H   0  0  0  0  0
    4.2589    1.2020    0.3460 H   0  0  0  0  0
    4.6215    4.2208   -0.3667 H   0  0  0  0  0
    6.8062    3.6500    1.7095 H   0  0  0  0  0
    5.9088    5.1428    1.5539 H   0  0  0  0  0
    9.0282    3.8182    1.0139 H   0  0  0  0  0
   10.7723    4.7783   -0.4381 H   0  0  0  0  0
   10.1679    6.4055   -2.2103 H   0  0  0  0  0
    7.7975    7.0651   -2.5289 H   0  0  0  0  0
    6.0375    6.1140   -1.0936 H   0  0  0  0  0
    6.4466    1.8507   -0.1758 H   0  0  0  0  0
    5.8289   -0.1735   -1.1449 H   0  0  0  0  0
    7.7048   -1.5999   -4.7399 H   0  0  0  0  0
    7.5985    0.6571   -5.7053 H   0  0  0  0  0
    6.6021    2.5292   -4.4189 H   0  0  0  0  0
    6.4710   -4.2576   -2.4631 H   0  0  0  0  0
    7.6383   -3.5522   -3.5863 H   0  0  0  0  0
    5.8659   -3.2947   -3.8179 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 20  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 18 19  2  0  0  0
 18 47  1  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 25 26  2  0  0  0
 25 29  1  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 27 28  2  0  0  0
 27 52  1  0  0  0
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 29 30  1  0  0  0
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 30 55  1  0  0  0
 30 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633717

>  <PubChem CID>
122195502

>  <Formula>
C25H26N2O3

>  <Molecular Weight>
402.494000

>  <IUPAC Name>
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)OC

>  <Isomeric SMILES>
C[C@@H](C1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)OC

>  <InChI Std. ID>
InChI=1S/C25H26N2O3/c1-18(20-12-7-4-8-13-20)26-25(29)23(16-19-10-5-3-6-11-19)27-24(28)21-14-9-15-22(17-21)30-2/h3-15,17-18,23H,16H2,1-2H3,(H,26,29)(H,27,28)/t18-,23-/m0/s1

>  <InChI Key>
RYHCOFZSOYKASU-MBSDFSHPSA-N

