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BRD

Summary
Name:1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE
Formula:C10 H14 N2 O5
Formal charge:0
Formula weight:242.229 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-beta-D-ribofuranosyl-1,3-dihydro-2H-1,3-diazepin-2-one
OpenEye OEToolkits1.5.01-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-1,3-diazepin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC=CC=CN1C2OC(C(O)C2O)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=CNC2=O
SMILESCACTVS3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC=CNC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
SMILESOpenEye OEToolkits1.5.0C1=CNC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
InChIInChI1.03InChI=1S/C10H14N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-4,6-9,13-15H,5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1
InChIKeyInChI1.03MEPCJRCEYSZBDO-FNCVBFRFSA-N

224931

數據於2024-09-11公開中

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