E95

7-Methyl-L-Tryptophan

Created:2018-03-06
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count1
Bond Count31
Aromatic Bond Count10
2D diagram of E95

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Chemical Component Summary

Name7-Methyl-L-Tryptophan
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-3-(7-methyl-1~{H}-indol-3-yl)propanoic acid
FormulaC12 H14 N2 O2
Molecular Weight218.252
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12
SMILESOpenEye OEToolkits2.0.6Cc1cccc2c1[nH]cc2CC(C(=O)O)N
Canonical SMILESCACTVS3.385 Cc1cccc2c(C[C@H](N)C(O)=O)c[nH]c12
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyInChI1.03 KBOZNJNHBBROHM-JTQLQIEISA-N

Related Resource References

Resource NameReference
PubChem 41097905, 13734062