
 BDBM50187327

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  36   1
M  END

>  <Chemical Name>
BDBM50187327

>  <PubChem CID>
44411633

>  <Formula>
C27H33N4O4S+

>  <Molecular Weight>
509.645000

>  <IUPAC Name>
[1-[[(2R)-1-(1,1-dioxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]azanium

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CC3)CS(=O)(=O)C5=CC=CC=C45)[NH3+]

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CC3)CS(=O)(=O)C5=CC=CC=C45)[NH3+]

>  <InChI Std. ID>
InChI=1S/C27H32N4O4S/c1-26(2,28)25(33)30-22(15-18-16-29-21-9-5-3-7-19(18)21)24(32)31-13-11-27(12-14-31)17-36(34,35)23-10-6-4-8-20(23)27/h3-10,16,22,29H,11-15,17,28H2,1-2H3,(H,30,33)/p+1/t22-/m1/s1

>  <InChI Key>
BDOOTOZOBIQTOH-JOCHJYFZSA-O

