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ZHE

Summary
Name:cyclohexylmethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:C15 H27 N O6
Formal charge:0
Formula weight:317.378 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01cyclohexylmethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
OpenEye OEToolkits2.0.7~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-(cyclohexylmethoxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCCCC1
InChIInChI1.06InChI=1S/C15H27NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h10-15,17,19-20H,2-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15-/m1/s1
InChIKeyInChI1.06ZYHQMRNILDNVCD-KJWHEZOQSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC2CCCCC2
SMILESCACTVS3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC2CCCCC2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2CCCCC2)CO)O)O
SMILESOpenEye OEToolkits2.0.7CC(=O)NC1C(C(C(OC1OCC2CCCCC2)CO)O)O

222415

数据于2024-07-10公开中

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