Q8X

(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal

Created:	2022-07-21
Last modified:	2024-09-27

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1 entries where Q8X is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	36
Aromatic Bond Count	12

2D diagram of Q8X

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Chemical Component Summary
Name	(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanoic acid
Formula	C₁₄ H₁₅ N₃ O₂ S
Molecular Weight	289.353
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](CSCc1ccc(nc1)c2ccccn2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)c2ccc(cn2)CSCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](CSCc1ccc(nc1)c2ccccn2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)c2ccc(cn2)CSC[C@@H](C(=O)O)N
InChI	InChI	1.06	InChI=1S/C14H15N3O2S/c15-11(14(18)19)9-20-8-10-4-5-13(17-7-10)12-3-1-2-6-16-12/h1-7,11H,8-9,15H2,(H,18,19)/t11-/m0/s1
InChIKey	InChI	1.06	ANWKVUXJRPIXEU-NSHDSACASA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.