| CAS Number | 91216-95-4 |
| Catalog Number | AG00GX11(AGN-PC-0VRVR9) |
| Chemical Name | L-γ-Glutamyl-(S)-Allyl-Cysteine |
| IUPAC Name | (2S)-2-amino-5-[[(1R)-1-carboxy-2-prop-2-enylsulfanylethyl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1 |
| InChI Key | FUTHBNRZCFKVQZ-YUMQZZPRSA-N |
| MDL Number | MFCD09804361 |
| Molecular Formula | C11H18N2O5S |
| Molecular Weight | 290.3360 |
| SMILES | [C@@H](C(=O)O)(CSCC=C)NC(=O)CC[C@H](N)C(=O)O |
| UNII | 1O5QGM20NB |
| Synonyms | gamma-glutamyl-S-allylcysteine,
GSAC dipeptide,
UNII-1O5QGM20NB,
1O5QGM20NB,
gamma-Glutamyl-S-allylcysteine,
gamma-Glutamyl-S-2-propenylcysteine,
91216-95-4,
gamma-Glutamyl-S-prop-2-en-1-ylcysteine,
gammaGlu-S-Allyl-Cys-OH,
L-Cysteine, L-gamma-glutamyl-S-2-propenyl-,
Glutamine, N-(2-(allylthio)-1-carboxyethyl)-, L-,
SCHEMBL1157668,
gamma-glutamyl-s-allyl-l-cysteine,
ZINC15261411,
L--Glutamyl-(S)-Allyl-Cysteine,
CID11346811,
2-amino-4-[(1-carboxy-2-prop-2-enylsulfanyl-ethyl)carbamoyl]butanoic Acid,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.334g/mol |
| Monoisotopic Mass | 290.094g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 155A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number