| CAS Number | 30845-11-5 |
| Catalog Number | AG00C2YK(AGN-PC-0WH3LA) |
| Chemical Name | S-(3-Carboxypropyl)-L-cysteine |
| IUPAC Name | 4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid |
| InChI | InChI=1S/C7H13NO4S/c8-5(7(11)12)4-13-3-1-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m0/s1 |
| InChI Key | WNFNRNDFHINZLV-YFKPBYRVSA-N |
| MDL Number | MFCD30187156 |
| Molecular Formula | C7H13NO4S |
| Molecular Weight | 207.2474 |
| SMILES | O=C(O)CCCSC[C@H](N)C(O)=O |
| Synonyms | S-(3-Carboxypropyl)-L-cysteine,
30845-11-5,
S-(3-carboxypropyl)cysteine,
SCHEMBL7292565,
(R)-4-((2-Amino-2-carboxyethyl)thio)butanoic acid,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.244g/mol |
| Monoisotopic Mass | 207.057g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number