
 CHEMBL3753815

 80 82  0  0  0  0  0  0  0  0999 V2000
    6.2577    5.4540    1.6827 C   0  0  0  0  0
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    2.3064    0.6235   -1.7202 H   0  0  0  0  0
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    8.2193   -2.0460   -4.1065 H   0  0  0  0  0
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    8.8253   -2.5886   -1.8105 H   0  0  0  0  0
    9.2321   -5.0528   -1.8798 H   0  0  0  0  0
   10.5467   -4.1616   -1.1857 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3753815

>  <PubChem CID>
56639736

>  <Formula>
C29H42N4O5

>  <Molecular Weight>
526.678000

>  <IUPAC Name>
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[(2-propoxyphenyl)methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCOC1=CC=CC=C1CNC(=O)C(C(C)CC)NC(=O)C(CC2CCCCC2)NC(=O)C3=CC=NO3

>  <Isomeric SMILES>
CCCOC1=CC=CC=C1CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC2CCCCC2)NC(=O)C3=CC=NO3

>  <InChI Std. ID>
InChI=1S/C29H42N4O5/c1-4-17-37-24-14-10-9-13-22(24)19-30-29(36)26(20(3)5-2)33-27(34)23(18-21-11-7-6-8-12-21)32-28(35)25-15-16-31-38-25/h9-10,13-16,20-21,23,26H,4-8,11-12,17-19H2,1-3H3,(H,30,36)(H,32,35)(H,33,34)/t20-,23-,26-/m0/s1

>  <InChI Key>
IICFYQSYFWTUAW-CHZKFRDHSA-N

