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D0Q

Summary
Name:5-methyl-L-tryptophan
Formula:C12 H14 N2 O2
Formal charge:0
Formula weight:218.252 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(2~{S})-2-azanyl-3-(5-methyl-1~{H}-indol-3-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyInChI1.03HUNCSWANZMJLPM-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2[nH]cc(C[C@H](N)C(O)=O)c2c1
SMILESCACTVS3.385Cc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits2.0.6Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N

223532

PDB entries from 2024-08-07

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