0UO

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Summary

Name:4-methoxy-L-tryptophan
Formula:C12 H14 N2 O3
Formal charge:0
Molecular weight:234.251 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-methoxy-L-tryptophan
OpenEye OEToolkits1.7.6(2S)-2-azanyl-3-(4-methoxy-1H-indol-3-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)Cc2c1c(cccc1OC)nc2
InChIInChI1.03InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyInChI1.03VYXPKRIKQJEAOO-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.370COc1cccc2[nH]cc(C[C@H](N)C(O)=O)c12
SMILESCACTVS3.370COc1cccc2[nH]cc(C[CH](N)C(O)=O)c12
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.6COc1cccc2c1c(c[nH]2)CC(C(=O)O)N
167132
PDB entries from 2020-07-29