
 CHEMBL14247

 72 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL14247

>  <PubChem CID>
44269144

>  <Formula>
C30H33N7O2

>  <Molecular Weight>
523.641000

>  <IUPAC Name>
4-amino-4-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]pentanamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(CCC(=O)NC1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N

>  <Isomeric SMILES>
CC(C)(CCC(=O)N[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N

>  <InChI Std. ID>
InChI=1S/C30H33N7O2/c1-30(2,31)18-17-27(38)32-25-16-15-22-7-3-6-10-26(22)37(29(25)39)19-20-11-13-21(14-12-20)23-8-4-5-9-24(23)28-33-35-36-34-28/h3-14,25H,15-19,31H2,1-2H3,(H,32,38)(H,33,34,35,36)/t25-/m1/s1

>  <InChI Key>
DZINCDUETMIEPO-RUZDIDTESA-N

