
 CHEMBL3288170

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M  END

>  <Chemical Name>
CHEMBL3288170

>  <PubChem CID>
90644634

>  <Formula>
C39H45Cl2F4N5O6

>  <Molecular Weight>
826.712000

>  <IUPAC Name>
(2R)-N-[(2R)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl)-N,2-dimethylbutanamide;2,2,2-trifluoroacetic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
12

>  <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)N(C)C(CC5=CC=CC=C5)C(=O)NCCCN.C(=O)(C(F)(F)F)O

>  <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)[C@H](CC5=CC=CC=C5)C(=O)NCCCN.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C37H44Cl2FN5O4.C2HF3O2/c1-36(26-10-12-29(38)30(39)23-26,34(47)43(2)32(33(46)42-18-7-17-41)22-25-8-5-4-6-9-25)14-19-45-20-15-37(16-21-45)28-24-27(40)11-13-31(28)44(3)35(48)49-37;3-2(4,5)1(6)7/h4-6,8-13,23-24,32H,7,14-22,41H2,1-3H3,(H,42,46);(H,6,7)/t32-,36-;/m1./s1

>  <InChI Key>
BIMUNMUNYKAENM-OFCNLKHVSA-N

