EXL

1-Methyl-L-tryptophan

Created:	2020-02-14
Last modified:	2024-09-27

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1 entries where EXL is found as a standalone ligand1 entries where EXL is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	10

2D diagram of EXL

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Chemical Component Summary
Name	1-Methyl-L-tryptophan
Synonyms	(2S)-2-azanyl-3-(1-methylindol-3-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-(1-methylindol-3-yl)propanoic acid
Formula	C₁₂ H₁₄ N₂ O₂
Molecular Weight	218.252
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1cc(C[CH](N)C(O)=O)c2ccccc12
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(c2c1cccc2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	Cn1cc(C[C@H](N)C(O)=O)c2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKey	InChI	1.03	ZADWXFSZEAPBJS-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL504816
PubChem	6920150, 676159
ChEMBL	CHEMBL504816

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