
 BDBM50097795

 63 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50097795

>  <PubChem CID>
91931602

>  <Formula>
C25H27N5O5S

>  <Molecular Weight>
509.581000

>  <IUPAC Name>
4-hydroxy-5-[[4-[4-[[(2S)-2-hydroxy-3-(2-oxobenzimidazol-4-yl)oxypropyl]amino]piperidin-1-yl]phenyl]methyl]-3H-1,3-thiazol-2-one

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCC1NCC(COC2=CC=CC3=NC(=O)N=C32)O)C4=CC=C(C=C4)CC5=C(NC(=O)S5)O

>  <Isomeric SMILES>
C1CN(CCC1NC[C@@H](COC2=CC=CC3=NC(=O)N=C32)O)C4=CC=C(C=C4)CC5=C(NC(=O)S5)O

>  <InChI Std. ID>
InChI=1S/C25H27N5O5S/c31-18(14-35-20-3-1-2-19-22(20)28-24(33)27-19)13-26-16-8-10-30(11-9-16)17-6-4-15(5-7-17)12-21-23(32)29-25(34)36-21/h1-7,16,18,26,31-32H,8-14H2,(H,29,34)/t18-/m0/s1

>  <InChI Key>
AOPBIUULXGAYEG-SFHVURJKSA-N

