QNW

3-methylcatechol cysteine

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

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1 entries where QNW is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	6

2D diagram of QNW

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Chemical Component Summary
Name	3-methylcatechol cysteine
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-azanyl-3-[4-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid
Formula	C₁₀ H₁₃ N O₄ S
Molecular Weight	243.28
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(SC[CH](N)C(O)=O)c(O)c1O
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1O)O)SCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	Cc1ccc(SC[C@H](N)C(O)=O)c(O)c1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1O)O)SC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C10H13NO4S/c1-5-2-3-7(9(13)8(5)12)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1
InChIKey	InChI	1.03	FMLUMWBOFIKJEP-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	155804500

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