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6PW

Summary
Name:1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol
Formula:C24 H33 N3 O3
Formal charge:0
Formula weight:411.537 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol
OpenEye OEToolkits2.0.4(4~{S})-~{N}-[(2~{S},4~{S})-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O4CCC(NC(=O)C1C(C)(C)CN(CC1)c2ccc3c(n2)c(ccc3)C)CC4CO
InChIInChI1.03InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1
InChIKeyInChI1.03OLJFTJILJDDJGV-SLFFLAALSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc2ccc(nc12)N3CC[C@H](C(=O)N[C@H]4CCO[C@H](CO)C4)C(C)(C)C3
SMILESCACTVS3.385Cc1cccc2ccc(nc12)N3CC[CH](C(=O)N[CH]4CCO[CH](CO)C4)C(C)(C)C3
SMILES_CANONICALOpenEye OEToolkits2.0.4Cc1cccc2c1nc(cc2)N3CC[C@@H](C(C3)(C)C)C(=O)N[C@H]4CCO[C@@H](C4)CO
SMILESOpenEye OEToolkits2.0.4Cc1cccc2c1nc(cc2)N3CCC(C(C3)(C)C)C(=O)NC4CCOC(C4)CO

222415

數據於2024-07-10公開中

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