
 CHEMBL3884102

 61 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3884102

>  <PubChem CID>
134130378

>  <Formula>
C23H33ClN2O2

>  <Molecular Weight>
404.979000

>  <IUPAC Name>
(2S)-N-[(1R)-2-amino-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC(C)COC1=CC=C(C=C1)C(CN)NC(=O)C(C)C2=CC=CC=C2.Cl

>  <Isomeric SMILES>
CCCC(C)COC1=CC=C(C=C1)[C@H](CN)NC(=O)[C@@H](C)C2=CC=CC=C2.Cl

>  <InChI Std. ID>
InChI=1S/C23H32N2O2.ClH/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-24)25-23(26)18(3)19-9-6-5-7-10-19;/h5-7,9-14,17-18,22H,4,8,15-16,24H2,1-3H3,(H,25,26);1H/t17?,18-,22-;/m0./s1

>  <InChI Key>
DSMKQJRFZUULOL-NCNOEJATSA-N

