
 CHEMBL284010

 80 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL284010

>  <PubChem CID>
44273850

>  <Formula>
C32H40F2N2O4

>  <Molecular Weight>
554.679000

>  <IUPAC Name>
4-[1-[[(3S,4S)-1-[(1R)-1-carboxy-2-cyclopropylethyl]-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]-2-(4-fluorophenyl)butanoic acid

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC1CC(C(=O)O)N2CC(C(C2)C3=CC(=CC=C3)F)CN4CCC(CC4)CCC(C5=CC=C(C=C5)F)C(=O)O

>  <Isomeric SMILES>
C1CC1C[C@H](C(=O)O)N2C[C@@H]([C@H](C2)C3=CC(=CC=C3)F)CN4CCC(CC4)CCC(C5=CC=C(C=C5)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C32H40F2N2O4/c33-26-9-7-23(8-10-26)28(31(37)38)11-6-21-12-14-35(15-13-21)18-25-19-36(30(32(39)40)16-22-4-5-22)20-29(25)24-2-1-3-27(34)17-24/h1-3,7-10,17,21-22,25,28-30H,4-6,11-16,18-20H2,(H,37,38)(H,39,40)/t25-,28?,29+,30+/m0/s1

>  <InChI Key>
ADFRLQLNMJKEBV-XNUHKXAHSA-N

