Thiodione
(4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Thiodione|2-Methyl-3-(glutathione-S-yl)-1,4-naphthoquinone|Glycine, N-(S-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-N-L-gamma-glutamyl-L-cysteinyl)-|L-alpha-Glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-L-cysteinylglycine|(4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
| Molecular Formula | C21H23N3O8S |
|---|---|
| Molecular Weight | 477.12057 g/mol |
| LogP | -0.0495 |
| Topological Polar Surface Area | 192.96 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 477.12057 |
| Monoisotopic Mass | 477.12057 |
| Heavy Atoms | 33 |
| Complexity | 1036.0911 |
Chemical Identifiers
| CAS Number | 29446-72-8 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N |
Product Overview
Thiodione (CAS 29446-72-8), with molecular formula C21H23N3O8S and molecular weight 477.12057 g/mol. IUPAC: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.