QO2

4,5-dimethylcatechol cysteine

Created:	2020-07-08
Last modified:	2024-09-27

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1 entries where QO2 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

2D diagram of QO2

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Chemical Component Summary
Name	4,5-dimethylcatechol cysteine
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-azanyl-3-[2,3-dimethyl-5,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid
Formula	C₁₁ H₁₅ N O₄ S
Molecular Weight	257.306
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(c(c1C)SCC(C(=O)O)N)O)O
Canonical SMILES	CACTVS	3.385	Cc1cc(O)c(O)c(SC[C@H](N)C(O)=O)c1C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(c(c1C)SC[C@@H](C(=O)O)N)O)O
InChI	InChI	1.03	InChI=1S/C11H15NO4S/c1-5-3-8(13)9(14)10(6(5)2)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1
InChIKey	InChI	1.03	KLVVDBBGHNYECQ-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	155804501

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