
 CHEMBL68581

 65 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL68581

>  <PubChem CID>
44309074

>  <Formula>
C26H32N4O3

>  <Molecular Weight>
448.567000

>  <IUPAC Name>
N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]quinoxaline-2-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)CC(CC(C(CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)NC

>  <Isomeric SMILES>
CC(C)C[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)NC

>  <InChI Std. ID>
InChI=1S/C26H32N4O3/c1-17(2)13-19(25(32)27-3)15-24(31)22(14-18-9-5-4-6-10-18)30-26(33)23-16-28-20-11-7-8-12-21(20)29-23/h4-12,16-17,19,22,24,31H,13-15H2,1-3H3,(H,27,32)(H,30,33)/t19-,22+,24+/m1/s1

>  <InChI Key>
BZGNSHZZBYWLGG-UCFCWBNQSA-N

