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153

Summary
Name:(2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-3-PHENYL-PROPIONIC ACID
Formula:C24 H18 Cl2 F3 N O3
Formal charge:0
Formula weight:496.306 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(2,4-dichlorophenyl)carbonyl]-N-[3-(trifluoromethyl)benzyl]-L-phenylalanine
OpenEye OEToolkits1.5.0(2S)-2-[(2,4-dichlorophenyl)carbonyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1ccc(Cl)cc1Cl)N(C(C(=O)O)Cc2ccccc2)Cc3cccc(c3)C(F)(F)F
SMILES_CANONICALCACTVS3.341OC(=O)[C@H](Cc1ccccc1)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(Cl)cc3Cl
SMILESCACTVS3.341OC(=O)[CH](Cc1ccccc1)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(Cl)cc3Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC(C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl
InChIInChI1.03InChI=1S/C24H18Cl2F3NO3/c25-18-9-10-19(20(26)13-18)22(31)30(14-16-7-4-8-17(11-16)24(27,28)29)21(23(32)33)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,32,33)/t21-/m0/s1
InChIKeyInChI1.03LAJJKGIZTCCOHY-NRFANRHFSA-N

222624

数据于2024-07-17公开中

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