
 CHEMBL67757

 69 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL67757

>  <PubChem CID>
44309213

>  <Formula>
C27H34N4O4

>  <Molecular Weight>
478.593000

>  <IUPAC Name>
N-[(2S,3S,5R)-3-hydroxy-1-(4-methoxyphenyl)-7-methyl-5-(methylcarbamoyl)octan-2-yl]quinoxaline-2-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

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

>  <InChI Std. ID>
InChI=1S/C27H34N4O4/c1-17(2)13-19(26(33)28-3)15-25(32)23(14-18-9-11-20(35-4)12-10-18)31-27(34)24-16-29-21-7-5-6-8-22(21)30-24/h5-12,16-17,19,23,25,32H,13-15H2,1-4H3,(H,28,33)(H,31,34)/t19-,23+,25+/m1/s1

>  <InChI Key>
AFELSVMKARSBQE-VPHKFGTKSA-N

