| CAS Number | 283159-88-6 |
| Catalog Number | AG01CBEB(AGN-PC-0R3VUQ) |
| Chemical Name | L-Cysteine, L-g-glutamyl-, mono(trifluoroacetate) (salt) |
| IUPAC Name | (2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C8H14N2O5S.C2HF3O2/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15;3-2(4,5)1(6)7/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15);(H,6,7)/t4-,5-;/m0./s1 |
| InChI Key | WBAPFIMTGPKLNF-FHAQVOQBSA-N |
| MDL Number | MFCD00133357 |
| Molecular Formula | C10H15F3N2O7S |
| Molecular Weight | 364.2955 |
| SMILES | C(O)(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O.C(F)(F)(F)C(=O)O |
| Synonyms | Gamma-glutamylcysteine (TFA),
HY-113402A,
CS-0101974,
283159-88-6,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.055206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.3g/mol |
| Monoisotopic Mass | 364.055206g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 168Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number