| CAS Number | 1008647-74-2 |
| Catalog Number | AG00902G(AGN-PC-0WBQ3Z) |
| Chemical Name | N-([4-(2-Methoxyphenoxy)phenyl]sulfonyl)leucine |
| IUPAC Name | 2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-4-methylpentanoic acid |
| InChI | InChI=1S/C19H23NO6S/c1-13(2)12-16(19(21)22)20-27(23,24)15-10-8-14(9-11-15)26-18-7-5-4-6-17(18)25-3/h4-11,13,16,20H,12H2,1-3H3,(H,21,22) |
| InChI Key | JBEFGVKJNHLKKB-UHFFFAOYSA-N |
| MDL Number | MFCD06261252 |
| Molecular Formula | C19H23NO6S |
| Molecular Weight | 393.4540 |
| SMILES | COc1ccccc1Oc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(O)=O |
| Synonyms | 1008647-74-2,
((4-(2-methoxyphenoxy)phenyl)sulfonyl)leucine,
AC1MSS1L,
MFCD06261252,
AKOS000805746,
AKOS016055260,
MCULE-2601368222,
N-[4-(2-Methoxyphenoxy)phenylsulfonyl]-DL-leucine,
Z56883368,
F1678-0138,
2-(4-(2-methoxyphenoxy)phenylsulfonamido)-4-methylpentanoic acid,
2-[4-(2-methoxyphenoxy)benzenesulfonamido]-4-methylpentanoic acid,
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-4-methylpentanoic acid,
CID3539196,
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-4-methyl-pentanoic Acid,
|
| Complexity | 565 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.454g/mol |
| Monoisotopic Mass | 393.125g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number