| CAS Number | 1009715-73-4 |
| Catalog Number | AG00902P(AGN-PC-0WBQ3H) |
| Chemical Name | N-([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)PHENYLALANINE |
| IUPAC Name | 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C21H18ClNO5S/c22-18-8-4-5-9-20(18)28-16-10-12-17(13-11-16)29(26,27)23-19(21(24)25)14-15-6-2-1-3-7-15/h1-13,19,23H,14H2,(H,24,25) |
| InChI Key | ODODBPHOBJENGR-UHFFFAOYSA-N |
| MDL Number | MFCD03619095 |
| Molecular Formula | C21H18ClNO5S |
| Molecular Weight | 431.8893 |
| SMILES | O=S(NC(CC1=CC=CC=C1)C(O)=O)(C(C=C2)=CC=C2OC(C=CC=C3)=C3Cl)=O |
| Synonyms | 1009715-73-4,
((4-(2-chlorophenoxy)phenyl)sulfonyl)phenylalanine,
N-[4-(2-Chlorophenoxy)phenylsulfonyl]-DL-phenylalanine,
N-([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)PHENYLALANINE,
N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}phenylalanine,
AC1N3V77,
MFCD03619095,
STL307011,
AKOS000805724,
AKOS016055264,
MCULE-8745196316,
EU-0082319,
ST50133748,
F1408-0030,
2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]-3-phenylpropanoic acid,
2-({[4-(2-chlorophenoxy)phenyl]sulfonyl}amino)-3-phenylpropanoic acid,
CID4118743,
2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]-3-phenyl-propanoic Acid,
|
| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 431.887g/mol |
| Monoisotopic Mass | 431.059g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number