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D9V

Summary
Name:(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:C16 H24 N2 O4
Formal charge:0
Formula weight:308.373 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)
OpenEye OEToolkits2.0.6(1~{S},2~{S},3~{S},4~{R},5~{R})-2-(furan-2-ylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC3C(NCc1occc1)C4COC(C3N2CCCCC2)O4
InChIInChI1.03InChI=1S/C16H24N2O4/c19-15-13(17-9-11-5-4-8-20-11)12-10-21-16(22-12)14(15)18-6-2-1-3-7-18/h4-5,8,12-17,19H,1-3,6-7,9-10H2/t12-,13-,14-,15+,16-/m1/s1
InChIKeyInChI1.03UGNVVIUBNSMYSH-DGXTUMSLSA-N
SMILES_CANONICALCACTVS3.385O[C@H]1[C@H](NCc2occc2)[C@H]3CO[C@H](O3)[C@@H]1N4CCCCC4
SMILESCACTVS3.385O[CH]1[CH](NCc2occc2)[CH]3CO[CH](O3)[CH]1N4CCCCC4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(oc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4
SMILESOpenEye OEToolkits2.0.6c1cc(oc1)CNC2C3COC(O3)C(C2O)N4CCCCC4

222624

건을2024-07-17부터공개중

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