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ZYA

Summary
Name:BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE
Synonyms:Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide
Formula:C21 H23 F N2 O5
Formal charge:0
Formula weight:402.416 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide
OpenEye OEToolkits1.7.0phenylmethyl N-[(2S)-1-[(4-fluoro-3-oxo-butan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxo-propan-2-yl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccc(O)cc2)C
SMILES_CANONICALCACTVS3.370C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C(=O)CF
SMILESCACTVS3.370C[CH](NC(=O)[CH](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C(=O)CF
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc2ccccc2
SMILESOpenEye OEToolkits1.7.0CC(C(=O)CF)NC(=O)C(Cc1ccc(cc1)O)NC(=O)OCc2ccccc2
InChIInChI1.03InChI=1S/C21H23FN2O5/c1-14(19(26)12-22)23-20(27)18(11-15-7-9-17(25)10-8-15)24-21(28)29-13-16-5-3-2-4-6-16/h2-10,14,18,25H,11-13H2,1H3,(H,23,27)(H,24,28)/t14-,18-/m0/s1
InChIKeyInChI1.03RYABQRLJLIHDIP-KSSFIOAISA-N

223532

数据于2024-08-07公开中

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