
 CHEMBL3288163

 86 89  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3288163

>  <PubChem CID>
90644623

>  <Formula>
C34H39Cl3FN5O4

>  <Molecular Weight>
707.065000

>  <IUPAC Name>
(2R)-N-[(1S)-2-(2-aminoethylamino)-2-oxo-1-phenylethyl]-2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-methylbutanamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(CCN1CCC2(CC1)C3=C(C=CC(=C3)F)N(C(=O)O2)C)(C4=CC(=C(C=C4)Cl)Cl)C(=O)NC(C5=CC=CC=C5)C(=O)NCCN.Cl

>  <Isomeric SMILES>
C[C@@](CCN1CCC2(CC1)C3=C(C=CC(=C3)F)N(C(=O)O2)C)(C4=CC(=C(C=C4)Cl)Cl)C(=O)N[C@@H](C5=CC=CC=C5)C(=O)NCCN.Cl

>  <InChI Std. ID>
InChI=1S/C34H38Cl2FN5O4.ClH/c1-33(23-8-10-26(35)27(36)20-23,31(44)40-29(30(43)39-16-15-38)22-6-4-3-5-7-22)12-17-42-18-13-34(14-19-42)25-21-24(37)9-11-28(25)41(2)32(45)46-34;/h3-11,20-21,29H,12-19,38H2,1-2H3,(H,39,43)(H,40,44);1H/t29-,33+;/m0./s1

>  <InChI Key>
AAOQXJXMHFUVEW-PSDCGHEKSA-N

