Glutathione-citryl thioester
1-[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylpropane-1,2,3-tricarboxylic acid
Also Known As: Citryl-glutathione|Glutathione-citryl thioester|KST-1B8189|1-({(2r)-2-{[(2s)-2-amino-4-carboxybutanoyl]amino}-3-[(carboxymethyl)amino]-3-oxopropyl}sulfanyl)propane-1,2,3-tricarboxylic acid(non-preferred name)|Glycine, N-(N-L-gamma-glutamyl-L-cysteinyl)-, S-(dihydrogen 2-hydroxy-1,2,3-propanetricarboxylate)|sodium 1,2-dimethyl-6,10-dioxo-4-propyl-7,9-diazaspiro[4.5]dec-7-en-8-olate|sodium,1,2-dimethyl-6,10-dioxo-4-propyl-7,9-diazaspiro[4.5]dec-8-en-8-olate|1-[(2R)-2-[[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylpropane-1,2,3-tricarboxylic acid
| Molecular Formula | C16H23N3O12S |
|---|---|
| Molecular Weight | 481.10025 g/mol |
| LogP | -5.5 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 481.10025 |
| Monoisotopic Mass | 481.10025 |
| Heavy Atoms | 32 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 7357-33-7 |
|---|---|
| SMILES | C(CC(=O)O)[C@@H](C(=O)N[C@@H](CSC(C(CC(=O)O)C(=O)O)C(=O)O)C(=O)NCC(=O)O)N |
| InChIKey | MHZSXFRWQSHJOR-KOKGYQKFSA-N |
Product Overview
Glutathione-citryl thioester (CAS 7357-33-7), with molecular formula C16H23N3O12S and molecular weight 481.10025 g/mol. IUPAC: 1-[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylpropane-1,2,3-tricarboxylic acid.
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