
 137862-87-4

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M  END

>  <Chemical Name>
137862-87-4

>  <PubChem CID>
5284633

>  <Formula>
C24H29N5O3

>  <Molecular Weight>
435.528000

>  <IUPAC Name>
(2R)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O

>  <Isomeric SMILES>
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@H](C(C)C)C(=O)O

>  <InChI Std. ID>
InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m1/s1

>  <InChI Key>
ACWBQPMHZXGDFX-JOCHJYFZSA-N

