| CAS Number | 1396963-05-5 |
| Catalog Number | AG019GML |
| Chemical Name | 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid |
| IUPAC Name | 5-amino-2-[(4-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid |
| InChI | InChI=1S/C12H16N2O6S/c1-20-8-2-4-9(5-3-8)21(18,19)14-10(12(16)17)6-7-11(13)15/h2-5,10,14H,6-7H2,1H3,(H2,13,15)(H,16,17) |
| InChI Key | WRHJLQNUJNCDLD-UHFFFAOYSA-N |
| MDL Number | MFCD03147413 |
| Molecular Formula | C12H16N2O6S |
| Molecular Weight | 316.3302 |
| SMILES | COC1=CC=C(S(NC(C(O)=O)CCC(N)=O)(=O)=O)C=C1 |
| Synonyms | 4-carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid,
4-Carbamoyl-2-(4-methoxy-benzenesulfonylamino)-butyric acid,
1396963-05-5,
EN300-00546,
(2S)-4-CARBAMOYL-2-(4-METHOXYBENZENESULFONAMIDO)BUTANOIC ACID,
381723-90-6,
AC1MYGAC,
AC1Q4C1A,
CTK7A5446,
MFCD03147413,
AKOS000115045,
AKOS016870408,
MCULE-9877764770,
NE38958,
SR-01000037226,
SR-01000037226-1,
5-amino-2-[(4-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid,
CID3856223,
4-carbamoyl-2-[(4-methoxyphenyl)sulfonylamino]butanoic Acid,
|
| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.328g/mol |
| Monoisotopic Mass | 316.073g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number