
 MLS002320129

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M  END

>  <Chemical Name>
MLS002320129

>  <PubChem CID>
44201662

>  <Formula>
C35H39FN2O5

>  <Molecular Weight>
586.704000

>  <IUPAC Name>
N-benzyl-2-[(2S,6S,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(C(=O)OC(CNC(=O)C(CC=C1)CC(=O)N(CCO)CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)F

>  <Isomeric SMILES>
C\1C[C@H](C(=O)O[C@H](CNC(=O)[C@@H](C/C=C1)CC(=O)N(CCO)CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C35H39FN2O5/c36-31-18-16-26(17-19-31)22-30-15-9-3-8-14-29(23-33(40)38(20-21-39)25-27-10-4-1-5-11-27)34(41)37-24-32(43-35(30)42)28-12-6-2-7-13-28/h1-8,10-13,16-19,29-30,32,39H,9,14-15,20-25H2,(H,37,41)/b8-3+/t29-,30-,32+/m0/s1

>  <InChI Key>
XLVFAOACBLRJTI-WEANYMQWSA-N

