
 CHEMBL368375

 87 91  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL368375

>  <PubChem CID>
516225

>  <Formula>
C34H45FN4O3

>  <Molecular Weight>
576.757000

>  <IUPAC Name>
(2R,3S)-2-[(3S,4S)-3-[[4-[2-ethyl-5-[(4-hydroxyphenyl)methyl]pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylpentanoic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C(C(=O)O)N1CC(C(C1)C2=CC(=CC=C2)F)CN3CCC(CC3)C4=CC(=NN4CC)CC5=CC=C(C=C5)O

>  <Isomeric SMILES>
CC[C@H](C)[C@H](C(=O)O)N1C[C@@H]([C@H](C1)C2=CC(=CC=C2)F)CN3CCC(CC3)C4=CC(=NN4CC)CC5=CC=C(C=C5)O

>  <InChI Std. ID>
InChI=1S/C34H45FN4O3/c1-4-23(3)33(34(41)42)38-21-27(31(22-38)26-7-6-8-28(35)18-26)20-37-15-13-25(14-16-37)32-19-29(36-39(32)5-2)17-24-9-11-30(40)12-10-24/h6-12,18-19,23,25,27,31,33,40H,4-5,13-17,20-22H2,1-3H3,(H,41,42)/t23-,27-,31+,33+/m0/s1

>  <InChI Key>
AYQPUUZHDGKDRB-MQMFKJKRSA-N

