D0Q

5-methyl-L-tryptophan

Created:	2017-12-15
Last modified:	2024-09-27

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3 entries where D0Q is found as a standalone ligand

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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 D0Q

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Chemical Component Summary
Name	5-methyl-L-tryptophan
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-(5-methyl-1~{H}-indol-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	Cc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	Cc1ccc2[nH]cc(C[C@H](N)C(O)=O)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	HUNCSWANZMJLPM-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	150990, 6950483
ChEBI	CHEBI:52527

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