| CAS Number | 100429-59-2 |
| Catalog Number | AG008RCA(AGN-PC-0NUZ78) |
| Chemical Name | S-(2-Carboxyethyl)-L-cysteine |
| IUPAC Name | (2S)-2-amino-3-(2-carboxyethylsulfanyl)propanoic acid |
| InChI | InChI=1S/C6H11NO4S/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m1/s1 |
| InChI Key | FBPINGSGHKXIQA-SCSAIBSYSA-N |
| MDL Number | MFCD03424208 |
| Molecular Formula | C6H11NO4S |
| Molecular Weight | 193.2208 |
| SMILES | N[C@H](CSCCC(=O)O)C(=O)O |
| Synonyms | D-Cysteine, S-(2-carboxyethyl)-,
100429-59-2,
(S)-2-Amino-3-[(2-carboxyethyl)thio]propionic acid,
ZINC1677634,
AKOS028108865,
FT-0664310,
S-(2-Carboxyethyl)-L-cysteine,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.217g/mol |
| Monoisotopic Mass | 193.041g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number