
 CHEMBL1270521

 82 85  0  0  0  0  0  0  0  0999 V2000
    0.0414    0.2932   -1.0646 C   0  0  0  0  0
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    3.9193    4.4243    3.0174 H   0  0  0  0  0
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    5.9762    7.7348    3.0544 H   0  0  0  0  0
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    3.3751    6.5107    2.0173 H   0  0  0  0  0
    3.7785    8.6172    4.1957 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1270521

>  <PubChem CID>
49788572

>  <Formula>
C30H43N5O4

>  <Molecular Weight>
537.705000

>  <IUPAC Name>
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2C)NC(=O)C(CC3CCCCC3)NC(=O)C4=CC=NO4

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2C)NC(=O)[C@H](CC3CCCCC3)NC(=O)C4=CC=NO4

>  <InChI Std. ID>
InChI=1S/C30H43N5O4/c1-4-21(2)27(30(38)35-18-16-34(17-19-35)25-13-9-8-10-22(25)3)33-28(36)24(20-23-11-6-5-7-12-23)32-29(37)26-14-15-31-39-26/h8-10,13-15,21,23-24,27H,4-7,11-12,16-20H2,1-3H3,(H,32,37)(H,33,36)/t21-,24-,27-/m0/s1

>  <InChI Key>
FDKRNOSDLZKZDM-DDZLNHKNSA-N

