
 CHEMBL338503

 79 84  0  0  0  0  0  0  0  0999 V2000
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   -4.1112    4.6763   -3.8985 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL338503

>  <PubChem CID>
11757440

>  <Formula>
C30H40N2O6S

>  <Molecular Weight>
556.718000

>  <IUPAC Name>
3-[1-[(1R,3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]-2,5-dioxopyrrolidin-3-yl]propanoic acid

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)N3C(=O)CC(C3=O)CCC(=O)O)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@H](C2)N3C(=O)CC(C3=O)CCC(=O)O)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <InChI Std. ID>
InChI=1S/C30H40N2O6S/c1-28(2)22-10-12-30(28,24(18-22)32-25(33)17-21(27(32)36)7-8-26(34)35)19-39(37,38)31-15-13-29(14-16-31)11-9-20-5-3-4-6-23(20)29/h3-6,21-22,24H,7-19H2,1-2H3,(H,34,35)/t21?,22-,24+,30-/m1/s1

>  <InChI Key>
DBPQXDYXFWSSCU-WKBYALOHSA-N

