0A9

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Summary

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

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl L-phenylalaninate
OpenEye OEToolkits1.7.0methyl (2S)-2-azanyl-3-phenyl-propanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC)C(N)Cc1ccccc1
SMILES_CANONICALCACTVS3.370COC(=O)[C@@H](N)Cc1ccccc1
SMILESCACTVS3.370COC(=O)[CH](N)Cc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.0COC(=O)[C@H](Cc1ccccc1)N
SMILESOpenEye OEToolkits1.7.0COC(=O)C(Cc1ccccc1)N
InChIInChI1.03InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
InChIKeyInChI1.03VSDUZFOSJDMAFZ-VIFPVBQESA-N