| CAS Number | 61125-50-6 |
| Catalog Number | AG01C171 |
| Chemical Name | 2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid dihydrochloride |
| IUPAC Name | 2-amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid;dihydrochloride |
| InChI | InChI=1S/C7H14N2O4S.2ClH/c8-4(6(10)11)1-2-14-3-5(9)7(12)13;;/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13);2*1H |
| InChI Key | BDKXLTOHYQEAIO-UHFFFAOYSA-N |
| MDL Number | MFCD29041302 |
| Molecular Formula | C7H16Cl2N2O4S |
| Molecular Weight | 295.1839 |
| SMILES | NC(C(=O)O)CCSCC(C(=O)O)N.Cl.Cl |
| Synonyms | 2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid dihydrochloride,
61125-50-6,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.175g/mol |
| Monoisotopic Mass | 294.021g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 152A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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