
 CHEMBL3914140

 80 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3914140

>  <PubChem CID>
56640108

>  <Formula>
C30H41ClN4O4

>  <Molecular Weight>
557.132000

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

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(C)C(C(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl)NC(=O)C(CC3CCCCC3)NC(=O)C4=CC=NO4

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl)NC(=O)[C@H](CC3CCCCC3)NC(=O)C4=CC=NO4

>  <InChI Std. ID>
InChI=1S/C30H41ClN4O4/c1-3-20(2)27(30(38)35-17-14-23(15-18-35)22-9-11-24(31)12-10-22)34-28(36)25(19-21-7-5-4-6-8-21)33-29(37)26-13-16-32-39-26/h9-13,16,20-21,23,25,27H,3-8,14-15,17-19H2,1-2H3,(H,33,37)(H,34,36)/t20-,25-,27-/m0/s1

>  <InChI Key>
HHHMTGYKMFPVSG-OICBGKIFSA-N

