
 CID 10029477

 74 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 10029477

>  <PubChem CID>
10029477

>  <Formula>
C27H38N4O4S

>  <Molecular Weight>
514.685000

>  <IUPAC Name>
5-(aminomethyl)-3-[(1R,3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]imidazolidine-2,4-dione

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)N3C(=O)C(NC3=O)CN)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@H](C2)N3C(=O)C(NC3=O)CN)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <InChI Std. ID>
InChI=1S/C27H38N4O4S/c1-25(2)19-8-10-27(25,22(15-19)31-23(32)21(16-28)29-24(31)33)17-36(34,35)30-13-11-26(12-14-30)9-7-18-5-3-4-6-20(18)26/h3-6,19,21-22H,7-17,28H2,1-2H3,(H,29,33)/t19-,21?,22+,27-/m1/s1

>  <InChI Key>
AOHLYYLXWGWSJO-KZVAKWDOSA-N

