HPE

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Summary

Name:HOMOPHENYLALANINE
Formula:C10 H13 N O2
Formal charge:0
Molecular weight:179.216 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-amino-4-phenylbutanoic acid
OpenEye OEToolkits1.5.0(2S)-2-amino-4-phenyl-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CCc1ccccc1
SMILES_CANONICALCACTVS3.341N[C@@H](CCc1ccccc1)C(O)=O
SMILESCACTVS3.341N[CH](CCc1ccccc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CCC(C(=O)O)N
InChIInChI1.03InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKeyInChI1.03JTTHKOPSMAVJFE-VIFPVBQESA-N
167132
PDB entries from 2020-07-29