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MS7

Summary
Name:O-benzyl-N-methyl-L-tyrosinamide
Formula:C17 H20 N2 O2
Formal charge:0
Formula weight:284.353 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01O-benzyl-N-methyl-L-tyrosinamide
OpenEye OEToolkits1.7.0(2S)-2-azanyl-N-methyl-3-(4-phenylmethoxyphenyl)propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC)C(N)Cc2ccc(OCc1ccccc1)cc2
SMILES_CANONICALCACTVS3.370CNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1
SMILESCACTVS3.370CNC(=O)[CH](N)Cc1ccc(OCc2ccccc2)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.0CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N
SMILESOpenEye OEToolkits1.7.0CNC(=O)C(Cc1ccc(cc1)OCc2ccccc2)N
InChIInChI1.03InChI=1S/C17H20N2O2/c1-19-17(20)16(18)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyInChI1.03ZMTWQALRHGTUHL-INIZCTEOSA-N

221371

PDB entries from 2024-06-19

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