
 CHEMBL3753844

 76 79  0  0  0  0  0  0  0  0999 V2000
    0.6612   -0.3274   -1.7532 C   0  0  0  0  0
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    6.2865   -1.3239   -2.9689 C   0  0  0  0  0
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    6.4962    3.0215    3.4859 C   0  0  0  0  0
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    7.8608    2.9222    3.9360 C   0  0  0  0  0
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    9.4894    2.4312    5.4053 N   0  0  0  0  0
    8.1226    2.4168    5.1771 O   0  0  0  0  0
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    0.2407    0.6737   -1.8848 H   0  0  0  0  0
    0.0313   -0.8881   -1.0568 H   0  0  0  0  0
    2.6969    0.1141   -2.1153 H   0  0  0  0  0
    2.4402   -1.2811   -1.0554 H   0  0  0  0  0
    2.0429    1.6593   -0.3129 H   0  0  0  0  0
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    0.3955    0.1795    0.8437 H   0  0  0  0  0
    1.5212    0.8793    1.9723 H   0  0  0  0  0
    4.2178   -0.3235    0.6270 H   0  0  0  0  0
    5.9100    1.0795   -2.3313 H   0  0  0  0  0
    4.4574   -1.3279   -1.8793 H   0  0  0  0  0
    5.8403   -1.3053   -0.8292 H   0  0  0  0  0
    4.5844   -1.1422   -4.3084 H   0  0  0  0  0
    5.8229   -1.8306   -6.3235 H   0  0  0  0  0
    8.2067   -2.4098   -6.1842 H   0  0  0  0  0
   10.2572   -2.6750   -4.8888 H   0  0  0  0  0
   11.4856   -2.5413   -2.7623 H   0  0  0  0  0
   10.3241   -1.7985   -0.7020 H   0  0  0  0  0
    7.9637   -1.2093   -0.7569 H   0  0  0  0  0
    4.3524    2.5168    1.3349 H   0  0  0  0  0
    3.8766    3.2216    3.4243 H   0  0  0  0  0
    3.4765    0.9918    5.4895 H   0  0  0  0  0
    2.2412    2.0312    4.8149 H   0  0  0  0  0
    4.5634    2.8649    6.6369 H   0  0  0  0  0
    3.8612    4.7531    5.0893 H   0  0  0  0  0
    3.7123    5.0681    6.8028 H   0  0  0  0  0
    1.7380    5.9082    5.6410 H   0  0  0  0  0
    1.4196    4.3321    4.9243 H   0  0  0  0  0
    1.3329    5.0505    7.8967 H   0  0  0  0  0
   -0.0457    4.6676    6.8706 H   0  0  0  0  0
    0.6459    2.7440    8.3127 H   0  0  0  0  0
    0.7117    2.3542    6.5993 H   0  0  0  0  0
    3.0471    3.0826    8.4255 H   0  0  0  0  0
    2.7309    1.5050    7.7237 H   0  0  0  0  0
    5.9354    1.6771    4.9395 H   0  0  0  0  0
    9.1799    3.6902    2.3531 H   0  0  0  0  0
   11.1008    3.0471    4.2348 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
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  1 41  1  0  0  0
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 32 34  1  0  0  0
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 37 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3753844

>  <PubChem CID>
71511166

>  <Formula>
C30H38N4O4

>  <Molecular Weight>
518.658000

>  <IUPAC Name>
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-(naphthalen-1-ylmethylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(C)C(C(=O)NCC1=CC=CC2=CC=CC=C21)NC(=O)C(CC3CCCCC3)NC(=O)C4=CC=NO4

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC2=CC=CC=C21)NC(=O)[C@H](CC3CCCCC3)NC(=O)C4=CC=NO4

>  <InChI Std. ID>
InChI=1S/C30H38N4O4/c1-3-20(2)27(30(37)31-19-23-14-9-13-22-12-7-8-15-24(22)23)34-28(35)25(18-21-10-5-4-6-11-21)33-29(36)26-16-17-32-38-26/h7-9,12-17,20-21,25,27H,3-6,10-11,18-19H2,1-2H3,(H,31,37)(H,33,36)(H,34,35)/t20-,25-,27-/m0/s1

>  <InChI Key>
FFJGRTPLJHZJGG-OICBGKIFSA-N

