| CAS Number | 193807-58-8 |
| Catalog Number | AG01E3KG(AGN-PC-0O6EDF) |
| Chemical Name | MMP-2/MMP-9InhibitorI |
| IUPAC Name | 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid |
| InChI | InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24) |
| InChI Key | JBYHBQIDTNHWJF-UHFFFAOYSA-N |
| MDL Number | MFCD02683953 |
| Molecular Formula | C21H19NO4S |
| Molecular Weight | 381.4449 |
| SMILES | C1(=CC=C(C=C1)S(=O)(=O)N[C@@H](C(=O)O)CC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonyms | 193807-58-8,
AC1L1HOP,
MMP-2/MMP-9InhibitorI,
CHEMBL88896,
SCHEMBL6545297,
3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic Acid,
IN1258,
mmp-2/mmp-9 inhibitor i,
CID4222,
|
| Complexity | 566 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.446g/mol |
| Monoisotopic Mass | 381.103g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number