XCN

S-cyano-L-cysteine

Created:	2010-09-21
Last modified:	2024-09-27

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8 entries where XCN is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	1
Bond Count	14
Aromatic Bond Count	0

2D diagram of XCN

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Chemical Component Summary
Name	S-cyano-L-cysteine
Systematic Name (OpenEye OEToolkits)	(2R)-2-azanyl-3-thiocyanato-propanoic acid
Formula	C₄ H₆ N₂ O₂ S
Molecular Weight	146.168
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CSC#N
SMILES	CACTVS	3.370	N[CH](CSC#N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	C(C(C(=O)O)N)SC#N
Canonical SMILES	CACTVS	3.370	N[C@@H](CSC#N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C([C@@H](C(=O)O)N)SC#N
InChI	InChI	1.03	InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
InChIKey	InChI	1.03	SZWQJLWRBFBNHI-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	39733619, 39733620

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