A1A2Y

5-methoxy-L-tryptophan

Created:	2024-08-20
Last modified:	2024-11-06

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2 entries where A1A2Y is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	10

2D diagram of A1A2Y

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Chemical Component Summary
Name	5-methoxy-L-tryptophan
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-(5-methoxy-1~{H}-indol-3-yl)propanoic acid
Formula	C₁₂ H₁₄ N₂ O₃
Molecular Weight	234.251
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(O)C(N)Cc1c[NH]c2ccc(cc21)OC
SMILES	CACTVS	3.385	COc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	COc1ccc2[nH]cc(C[C@H](N)C(O)=O)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
InChI	InChI	1.06	InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKey	InChI	1.06	KVNPSKDDJARYKK-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	151018, 6921545
ChEBI	CHEBI:149637, CHEBI:74049

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