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8WD

Summary
Name:N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
Formula:C20 H30 N4 O4 S
Formal charge:0
Formula weight:422.542 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
OpenEye OEToolkits2.0.6~{N}-[(1~{S},5~{R})-8-(4-azanylcyclohexyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC1CCC(CC1)S(=O)(=O)N2C3CCC2CC(C3)NC(c5noc(C4CC4)c5)=O
InChIInChI1.03InChI=1S/C20H30N4O4S/c21-13-3-7-17(8-4-13)29(26,27)24-15-5-6-16(24)10-14(9-15)22-20(25)18-11-19(28-23-18)12-1-2-12/h11-17H,1-10,21H2,(H,22,25)/t13-,14-,15+,16-,17-
InChIKeyInChI1.03JYZQPJRVTADXNE-BSBCAUIJSA-N
SMILES_CANONICALCACTVS3.385N[C@H]1CC[C@@H](CC1)[S](=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c4cc(on4)C5CC5
SMILESCACTVS3.385N[CH]1CC[CH](CC1)[S](=O)(=O)N2[CH]3CC[CH]2C[CH](C3)NC(=O)c4cc(on4)C5CC5
SMILES_CANONICALOpenEye OEToolkits2.0.6c1c(onc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)C4CCC(CC4)N)C5CC5
SMILESOpenEye OEToolkits2.0.6c1c(onc1C(=O)NC2CC3CCC(C2)N3S(=O)(=O)C4CCC(CC4)N)C5CC5

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數據於2024-07-17公開中

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