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2PJ

Summary
Name:tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
Formula:C23 H24 F2 N2 O2
Formal charge:0
Formula weight:398.446 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
OpenEye OEToolkits1.9.2tert-butyl N-[(2S)-2-[2,5-bis(fluoranyl)phenyl]-3-quinolin-3-yl-propyl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cc(c(F)cc1)C(CNC(=O)OC(C)(C)C)Cc2cc3ccccc3nc2
InChIInChI1.03InChI=1S/C23H24F2N2O2/c1-23(2,3)29-22(28)27-14-17(19-12-18(24)8-9-20(19)25)11-15-10-16-6-4-5-7-21(16)26-13-15/h4-10,12-13,17H,11,14H2,1-3H3,(H,27,28)/t17-/m1/s1
InChIKeyInChI1.03IRFHMTUHTBSEBK-QGZVFWFLSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)OC(=O)NC[C@@H](Cc1cnc2ccccc2c1)c3cc(F)ccc3F
SMILESCACTVS3.385CC(C)(C)OC(=O)NC[CH](Cc1cnc2ccccc2c1)c3cc(F)ccc3F
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)(C)OC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)F
SMILESOpenEye OEToolkits1.9.2CC(C)(C)OC(=O)NCC(Cc1cc2ccccc2nc1)c3cc(ccc3F)F

222415

건을2024-07-10부터공개중

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