
 CHEMBL62157

 87 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL62157

>  <PubChem CID>
44304163

>  <Formula>
C27H52N4O4

>  <Molecular Weight>
496.737000

>  <IUPAC Name>
(2S)-1,4-bis(dipentylcarbamoyl)piperazine-2-carboxylic acid

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCN(CCCCC)C(=O)N1CCN(C(C1)C(=O)O)C(=O)N(CCCCC)CCCCC

>  <Isomeric SMILES>
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)O)C(=O)N(CCCCC)CCCCC

>  <InChI Std. ID>
InChI=1S/C27H52N4O4/c1-5-9-13-17-28(18-14-10-6-2)26(34)30-21-22-31(24(23-30)25(32)33)27(35)29(19-15-11-7-3)20-16-12-8-4/h24H,5-23H2,1-4H3,(H,32,33)/t24-/m0/s1

>  <InChI Key>
ARVXIHZWEMWLIT-DEOSSOPVSA-N

