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PBF

Summary
Name:PARA-(BENZOYL)-PHENYLALANINE
Formula:C16 H15 N O3
Formal charge:0
Formula weight:269.295 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(phenylcarbonyl)-L-phenylalanine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-[4-(phenylcarbonyl)phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
SMILES_CANONICALCACTVS3.341N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O
SMILESCACTVS3.341N[CH](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
InChIKeyInChI1.03TVIDEEHSOPHZBR-AWEZNQCLSA-N

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PDB entries from 2024-07-10

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