
 CHEMBL238155

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL238155

>  <PubChem CID>
44434083

>  <Formula>
C23H28N6O2

>  <Molecular Weight>
420.517000

>  <IUPAC Name>
2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]tetrazol-5-yl]ethyl]propanamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C(=O)NC(COCC1=CC=CC=C1)C2=NN=NN2CC=CC3=CC=CC=C3)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C2=NN=NN2C/C=C/C3=CC=CC=C3)N

>  <InChI Std. ID>
InChI=1S/C23H28N6O2/c1-23(2,24)22(30)25-20(17-31-16-19-12-7-4-8-13-19)21-26-27-28-29(21)15-9-14-18-10-5-3-6-11-18/h3-14,20H,15-17,24H2,1-2H3,(H,25,30)/b14-9+/t20-/m1/s1

>  <InChI Key>
HLENXMZVAHVDRD-CBHXRGPZSA-N

