TOQ

6,7-dihydroxy-L-tryptophan

Created:2011-07-22
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count1
Bond Count30
Aromatic Bond Count10
2D diagram of TOQ

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Chemical Component Summary

Name6,7-dihydroxy-L-tryptophan
Systematic Name (OpenEye OEToolkits)(2S)-2-azanyl-3-[6,7-bis(oxidanyl)-1H-indol-3-yl]propanoic acid
FormulaC11 H12 N2 O4
Molecular Weight236.224
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)Cc2c1ccc(O)c(O)c1nc2
SMILESCACTVS3.370N[CH](Cc1c[nH]c2c(O)c(O)ccc12)C(O)=O
SMILESOpenEye OEToolkits1.7.2c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)O
Canonical SMILESCACTVS3.370 N[C@@H](Cc1c[nH]c2c(O)c(O)ccc12)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.2 c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)O
InChIInChI1.03 InChI=1S/C11H12N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13-15H,3,12H2,(H,16,17)/t7-/m0/s1
InChIKeyInChI1.03 NKLKDDZIKAVXNO-ZETCQYMHSA-N

Related Resource References

Resource NameReference
PubChem 137350056