
 BDBM50097799

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M  END

>  <Chemical Name>
BDBM50097799

>  <PubChem CID>
91931605

>  <Formula>
C29H32N4O6S2

>  <Molecular Weight>
596.717000

>  <IUPAC Name>
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]piperidin-4-yl]amino]ethyl]phenyl]benzenesulfonamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CN(CCC1NCC(C2=CC(=C(C=C2)O)NS(=O)(=O)C3=CC=CC=C3)O)C4=CC=C(C=C4)CC5=C(NC(=O)S5)O

>  <Isomeric SMILES>
C1CN(CCC1NC[C@@H](C2=CC(=C(C=C2)O)NS(=O)(=O)C3=CC=CC=C3)O)C4=CC=C(C=C4)CC5=C(NC(=O)S5)O

>  <InChI Std. ID>
InChI=1S/C29H32N4O6S2/c34-25-11-8-20(17-24(25)32-41(38,39)23-4-2-1-3-5-23)26(35)18-30-21-12-14-33(15-13-21)22-9-6-19(7-10-22)16-27-28(36)31-29(37)40-27/h1-11,17,21,26,30,32,34-36H,12-16,18H2,(H,31,37)/t26-/m0/s1

>  <InChI Key>
ADDYIVVOISESEV-SANMLTNESA-N

