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BRD

Summary
Name:1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE
Formula:C10 H16 N2 O5
Formal charge:0
Formula weight:244.244 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs14.521-beta-D-ribofuranosyl-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one
OpenEye OEToolkits3.1.0.03-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4,7-dihydro-1~{H}-1,3-diazepin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C1NCC=CCN1C1OC(CO)C(O)C1O
InChIInChI1.06InChI=1S/C10H16N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-2,6-9,13-15H,3-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1
InChIKeyInChI1.06HBBIVXDEBCKFIZ-FNCVBFRFSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CC=CCNC2=O
SMILESCACTVS3.385OC[CH]1O[CH]([CH](O)[CH]1O)N2CC=CCNC2=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C1C=CCN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
SMILESOpenEye OEToolkits3.1.0.0C1C=CCN(C(=O)N1)C2C(C(C(O2)CO)O)O

248636

PDB entries from 2026-02-04

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