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Chemical structure of LtaS-IN-1

GC39633

LtaS-IN-1

Also known as [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate

LtaS-IN-1 (compound 1771) is a potent small-molecule inhibitor of Lipoteichoic acid (LTA) synthesis in multidrug-resistant (MDR) E

ChemicalCAS877950-01-1MW427.41FormulaC24H17N3O5
CAS number
877950-01-1
Molecular weight
427.41
Formula
C24H17N3O5
Solubility
DMSO ： 125 mg/mL (292·46 mM; Need ultrasonic)
InChIKey
KNJXREYSQNBQEX-UHFFFAOYSA-N
Catalogue number
GC39633
Brand
GLPBIO
Computed properties PubChem CID 16286907 · XLogP 4.1 · TPSA 107 Ų · H-bond donors 1
XLogP
4.1
TPSA
107 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32

SMILES C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

Computed descriptors from PubChem (CID 16286907), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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