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O7D

Summary
Name:4-methoxy-N-methyl-L-tryptophan
Formula:C13 H16 N2 O3
Formal charge:0
Formula weight:248.278 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-methoxy-N-methyl-L-tryptophan
OpenEye OEToolkits2.0.7(2~{S})-3-(4-methoxy-1~{H}-indol-3-yl)-2-(methylamino)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CNC(Cc1cnc2cccc(c12)OC)C(=O)O
InChIInChI1.03InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyInChI1.03JOAGQVMOKFVKHN-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385CN[C@@H](Cc1c[nH]c2cccc(OC)c12)C(O)=O
SMILESCACTVS3.385CN[CH](Cc1c[nH]c2cccc(OC)c12)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CN[C@@H](Cc1c[nH]c2c1c(ccc2)OC)C(=O)O
SMILESOpenEye OEToolkits2.0.7CNC(Cc1c[nH]c2c1c(ccc2)OC)C(=O)O

217705

PDB entries from 2024-03-27

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