
 CHEMBL1269126

 87 89  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1269126

>  <PubChem CID>
49788731

>  <Formula>
C31H49N5O2

>  <Molecular Weight>
523.766000

>  <IUPAC Name>
(2S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-cyclohexyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)CC(C(=O)NCCCNCCCCNCCCN)NC(=O)CC2=CC=CC3=CC=CC=C32

>  <Isomeric SMILES>
C1CCC(CC1)C[C@@H](C(=O)NCCCNCCCCNCCCN)NC(=O)CC2=CC=CC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)/t29-/m0/s1

>  <InChI Key>
BKXZRLFPGYWHTM-LJAQVGFWSA-N

