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QVY

Summary
Name:1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol
Formula:C15 H16 N2 O2
Formal charge:0
Formula weight:256.3 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol
OpenEye OEToolkits2.0.7(3~{S},4~{S})-4-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]oxan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c23C(C1C(COCC1)O)n4c(c2cccc3)cnc4
InChIInChI1.03InChI=1S/C15H16N2O2/c18-14-8-19-6-5-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1
InChIKeyInChI1.03WENBZVXOQQBSHR-BPLDGKMQSA-N
SMILES_CANONICALCACTVS3.385O[C@@H]1COCC[C@H]1[C@@H]2n3cncc3c4ccccc24
SMILESCACTVS3.385O[CH]1COCC[CH]1[CH]2n3cncc3c4ccccc24
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)-c3cncn3C2C4CCOCC4O

218500

PDB entries from 2024-04-17

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