2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfopropan-2-yl]amino]-5-oxopentanoic acid

HCID 3486
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Basic information

CAS
3773-07-7
Standard SMILES
NC(CCC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(=O)O
InChIKey
QGWRMTHFAZVWAM-UHFFFAOYSA-N
Molecular formula
C10H17N3O9S
Average molar mass
355.32 g/mol
Monoisotopic mass
355.0685503

Names & identifiers

Preferred name
2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfopropan-2-yl]amino]-5-oxopentanoic acid
IUPAC
2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfopropan-2-yl]amino]-5-oxopentanoic acid
English name
Glutathionesulfonic acid
Molecular formula
C10H17N3O9S
Molecular weight
355.32

Names & synonyms

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfopropan-2-yl]amino]-5-oxopentanoic acidSCHEMBL10935016DTXSID00274401gamma-Glutamyl-3-sulfoalanylglycineNSC621989NSC-621989FG166997SR-01000883743N-(N-.gamma.-L-glutamyl-3-sulfo-L-alanyl)glycineSR-01000883743-12-amino-5-((1-((carboxymethyl)amino)-1-oxo-3-sulfopropan-2-yl)amino)-5-oxopentanoic acidGlutathionesulfonic acid
Show more names
L-γGlu-3-Sulfo-L-Ala-Gly-OHH-DL-gGlu-DL-Cys(O3H)-Gly-OHGlutathione sulfonate trifluoroacetateGlycine, L-γ-glutamyl-3-sulfo-L-alanyl-N-(N-L-gamma-Glutamyl-3-sulfo-L-alanyl)glycineN5-((R)-1-((Carboxymethyl)amino)-1-oxo-3-sulfopropan-2-yl)-L-glutamine(S)-2-Amino-5-(((R)-1-((carboxymethyl)amino)-1-oxo-3-sulfopropan-2-yl)amino)-5-oxopentanoic acid

Database identifiers

CAS
3773-07-7
PubChem CID
3486
DTXSID
DTXSID00274401

Properties

Computed structural properties

XLogP
-5.9
Topological polar surface area
222 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
23

Physicochemical properties

Melting point
190 ℃ · 190℃
Density
1.632 · 1.632±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
1.05 · 1.05±0.50(Predicted)
FDA UNII
672 FB3GH · ZU672FB3GH
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers33 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
北京阿克曼科技有限公司18001219251
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

Related reactions

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