JJL

S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine

Created:	2010-08-06
Last modified:	2024-09-27

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1 entries where JJL is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	2
Bond Count	31
Aromatic Bond Count	6

2D diagram of JJL

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Chemical Component Summary
Name	S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine
Systematic Name (OpenEye OEToolkits)	(2R)-2-azanyl-3-[(S)-hydroxy-(5-methoxypyridin-3-yl)methyl]sulfanyl-propanoic acid
Formula	C₁₀ H₁₄ N₂ O₄ S
Molecular Weight	258.294
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CSC(O)c1cncc(OC)c1
SMILES	CACTVS	3.370	COc1cncc(c1)[CH](O)SC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	COc1cc(cnc1)C(O)SCC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	COc1cncc(c1)[C@@H](O)SC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C10H14N2O4S/c1-16-7-2-6(3-12-4-7)10(15)17-5-8(11)9(13)14/h2-4,8,10,15H,5,11H2,1H3,(H,13,14)/t8-,10-/m0/s1
InChIKey	InChI	1.03	ZARNOYAJRQCTEJ-WPRPVWTQSA-N

Related Resource References

Resource Name	Reference
PubChem	49867174

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