
 CHEMBL3895574

 82 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3895574

>  <PubChem CID>
134136425

>  <Formula>
C30H42FN5O4

>  <Molecular Weight>
555.695000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)F)NC(=O)C(CC3CCCCC3)NC(=O)C4=CC=NO4

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)CC2=CC=C(C=C2)F)NC(=O)[C@H](CC3CCCCC3)NC(=O)C4=CC=NO4

>  <InChI Std. ID>
InChI=1S/C30H42FN5O4/c1-3-21(2)27(30(39)36-17-15-35(16-18-36)20-23-9-11-24(31)12-10-23)34-28(37)25(19-22-7-5-4-6-8-22)33-29(38)26-13-14-32-40-26/h9-14,21-22,25,27H,3-8,15-20H2,1-2H3,(H,33,38)(H,34,37)/t21-,25-,27-/m0/s1

>  <InChI Key>
AZJKAQFVAXYXJK-NOOLENRPSA-N

