
 CHEMBL404354

 69 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL404354

>  <PubChem CID>
44447852

>  <Formula>
C22H35N7O5

>  <Molecular Weight>
477.566000

>  <IUPAC Name>
2-[5-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]tetrazol-1-yl]ethyl N-(4-hydroxybutyl)carbamate

>  <XlogP>
-0.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=CC=CC=C1COCC(C2=NN=NN2CCOC(=O)NCCCCO)NC(=O)C(C)(C)N

>  <Isomeric SMILES>
CC1=CC=CC=C1COC[C@H](C2=NN=NN2CCOC(=O)NCCCCO)NC(=O)C(C)(C)N

>  <InChI Std. ID>
InChI=1S/C22H35N7O5/c1-16-8-4-5-9-17(16)14-33-15-18(25-20(31)22(2,3)23)19-26-27-28-29(19)11-13-34-21(32)24-10-6-7-12-30/h4-5,8-9,18,30H,6-7,10-15,23H2,1-3H3,(H,24,32)(H,25,31)/t18-/m1/s1

>  <InChI Key>
AXABYTPCUMEGOG-GOSISDBHSA-N

