
 CHEMBL340639

 80 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL340639

>  <PubChem CID>
44352123

>  <Formula>
C27H42N4O5S2

>  <Molecular Weight>
566.776000

>  <IUPAC Name>
2-amino-N-[(1R,3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]-4-sulfamoylbutanamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)NC(=O)C(CCS(=O)(=O)N)N)CS(=O)(=O)N3CCC4(CCC5=CC=CC=C54)CC3)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@H](C2)NC(=O)C(CCS(=O)(=O)N)N)CS(=O)(=O)N3CCC4(CCC5=CC=CC=C54)CC3)C

>  <InChI Std. ID>
InChI=1S/C27H42N4O5S2/c1-25(2)20-8-11-27(25,23(17-20)30-24(32)22(28)9-16-37(29,33)34)18-38(35,36)31-14-12-26(13-15-31)10-7-19-5-3-4-6-21(19)26/h3-6,20,22-23H,7-18,28H2,1-2H3,(H,30,32)(H2,29,33,34)/t20-,22?,23+,27-/m1/s1

>  <InChI Key>
ANDSYCDCWZVJBU-XPGHFMRJSA-N

