
 BDBM50043148

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M  END

>  <Chemical Name>
BDBM50043148

>  <PubChem CID>
91929302

>  <Formula>
C32H43N5O4S

>  <Molecular Weight>
593.787000

>  <IUPAC Name>
3-[(1R,3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)imidazol-2-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)N3C(=CN(C3=O)CCCN4C=CN=C4)O)CS(=O)(=O)N5CCC6(CCC7=CC=CC=C76)CC5)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@H](C2)N3C(=CN(C3=O)CCCN4C=CN=C4)O)CS(=O)(=O)N5CCC6(CCC7=CC=CC=C76)CC5)C

>  <InChI Std. ID>
InChI=1S/C32H43N5O4S/c1-30(2)25-9-11-32(30,27(20-25)37-28(38)21-35(29(37)39)16-5-15-34-19-14-33-23-34)22-42(40,41)36-17-12-31(13-18-36)10-8-24-6-3-4-7-26(24)31/h3-4,6-7,14,19,21,23,25,27,38H,5,8-13,15-18,20,22H2,1-2H3/t25-,27+,32-/m1/s1

>  <InChI Key>
CKECCXZFMMIVRS-UQXOEWSESA-N

