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A1BI3

Summary
Name:(1R)-N-{5-[(dihydroxy-lambda~4~-sulfanyl)oxy]pyridin-3-yl}-2,3-dihydro-1H-indene-1-carboxamide
Formula:C15 H14 N2 O5 S
Formal charge:0
Formula weight:334.347 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.525-{[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino}pyridin-3-yl hydrogen sulfate
OpenEye OEToolkits3.1.0.0[5-[[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]carbonylamino]pyridin-3-yl] hydrogen sulfate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OS(=O)(=O)Oc1cc(cnc1)NC(=O)C1CCc2ccccc21
InChIInChI1.06InChI=1S/C15H14N2O5S/c18-15(14-6-5-10-3-1-2-4-13(10)14)17-11-7-12(9-16-8-11)22-23(19,20)21/h1-4,7-9,14H,5-6H2,(H,17,18)(H,19,20,21)/t14-/m1/s1
InChIKeyInChI1.06UUXBXVVEARPXOI-CQSZACIVSA-N
SMILES_CANONICALCACTVS3.385O[S](=O)(=O)Oc1cncc(NC(=O)[C@@H]2CCc3ccccc23)c1
SMILESCACTVS3.385O[S](=O)(=O)Oc1cncc(NC(=O)[CH]2CCc3ccccc23)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2c(c1)CC[C@H]2C(=O)Nc3cc(cnc3)OS(=O)(=O)O
SMILESOpenEye OEToolkits3.1.0.0c1ccc2c(c1)CCC2C(=O)Nc3cc(cnc3)OS(=O)(=O)O

248636

PDB entries from 2026-02-04

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