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A0D

Summary
Name:N-adamantan-2-yl-1-ethyl-D-prolinamide
Synonyms:PF-877423
(1S,2R)-N-(2-adamantyl)-1-ethyl-pyrrolidine-2-carboxamide
Formula:C17 H28 N2 O
Formal charge:0
Formula weight:276.417 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-ethyl-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]-D-prolinamide
OpenEye OEToolkits1.7.2(1S,2R)-N-(2-adamantyl)-1-ethyl-pyrrolidine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC3C1CC2CC(C1)CC3C2)C4N(CC)CCC4
SMILES_CANONICALCACTVS3.370CCN1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4
SMILESCACTVS3.370CCN1CCC[CH]1C(=O)NC2C3CC4CC(C3)CC2C4
SMILES_CANONICALOpenEye OEToolkits1.7.2CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4
SMILESOpenEye OEToolkits1.7.2CCN1CCCC1C(=O)NC2C3CC4CC(C3)CC2C4
InChIInChI1.03InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11-,12+,13-,14+,15-,16-/m1/s1
InChIKeyInChI1.03UJRJQNDIYCDCNX-ZTYXSZCMSA-N

223532

건을2024-08-07부터공개중

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