Chemical Component Summary

NameCYCLOMETHYLTRYPTOPHAN
Identifiers(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
FormulaC12 H12 N2 O2
Molecular Weight216.236
TypeL-PEPTIDE LINKING
Isomeric SMILESc1ccc2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O
InChIInChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1
InChIKeyFSNCEEGOMTYXKY-JTQLQIEISA-N

Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count1
Bond Count30
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 6920044, 449440
ChEMBL CHEMBL155546