
 CHEMBL1269140

 92 95  0  0  0  0  0  0  0  0999 V2000
    0.4057    0.5833    0.9497 C   0  0  0  0  0
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    6.6478    6.4779   -5.0643 H   0  0  0  0  0
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   13.6330    1.3176    1.4069 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1269140

>  <PubChem CID>
49788441

>  <Formula>
C31H50N6O5

>  <Molecular Weight>
586.778000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C(C(=O)N1CCCCC1C(=O)N2CCC(CC2)CN)NC(=O)C(CC3CCCCC3)NC(=O)C4=CC=NO4

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N1CCCCC1C(=O)N2CCC(CC2)CN)NC(=O)[C@H](CC3CCCCC3)NC(=O)C4=CC=NO4

>  <InChI Std. ID>
InChI=1S/C31H50N6O5/c1-3-21(2)27(31(41)37-16-8-7-11-25(37)30(40)36-17-13-23(20-32)14-18-36)35-28(38)24(19-22-9-5-4-6-10-22)34-29(39)26-12-15-33-42-26/h12,15,21-25,27H,3-11,13-14,16-20,32H2,1-2H3,(H,34,39)(H,35,38)/t21-,24-,25?,27-/m0/s1

>  <InChI Key>
HCWCVFOWRLDSMC-DNRLNLDBSA-N

