GSN

2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE

Created:	2005-06-28
Last modified:	2020-05-27

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3 entries where GSN is found as a standalone ligand1 entries where GSN is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	-2
Atom Count	36
Chiral Atom Count	2
Bond Count	35
Aromatic Bond Count	0

2D diagram of GSN

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Chemical Component Summary
Name	2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE
Synonyms	S-NITROSOGLUTATHIONE; S-NITROSO GAMMA-GLUTAMYLCYSTEINYLGLYCINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-5-[[(2R)-3-nitrososulfanyl-1-[(2-oxido-2-oxo-ethyl)amino]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoate
Formula	C₁₀ H₁₄ N₄ O₇ S
Molecular Weight	334.306
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC(C(=O)NCC([O-])=O)CSN=O)CCC(C([O-])=O)N
SMILES	CACTVS	3.341	N[CH](CCC(=O)N[CH](CSN=O)C(=O)NCC([O-])=O)C([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	C(CC(=O)NC(CSN=O)C(=O)NCC(=O)[O-])C(C(=O)[O-])N
Canonical SMILES	CACTVS	3.341	N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC([O-])=O)C([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N
InChI	InChI	1.03	InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t5-,6-/m0/s1
InChIKey	InChI	1.03	HYHSBSXUHZOYLX-WDSKDSINSA-L

Related Resource References

Resource Name	Reference
PubChem	6857718

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