
 CHEMBL3342954

 76 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3342954

>  <PubChem CID>
23124629

>  <Formula>
C32H34N2O8

>  <Molecular Weight>
574.630000

>  <IUPAC Name>
4-(5-carboxypentanoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1C(OC2=C(N1C(=O)CCCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)O

>  <Isomeric SMILES>
C1C(OC2=C(N1C(=O)CCCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C32H34N2O8/c35-28(14-4-5-15-29(36)37)34-21-27(32(39)40)42-30-25(12-8-13-26(30)34)33-31(38)23-16-18-24(19-17-23)41-20-7-6-11-22-9-2-1-3-10-22/h1-3,8-10,12-13,16-19,27H,4-7,11,14-15,20-21H2,(H,33,38)(H,36,37)(H,39,40)

>  <InChI Key>
GDNFOLXYEODGCP-UHFFFAOYSA-N

