CAS 2642327-44-2 is the registry number for PAD4-IN-3. Offered by: MedChemExpress. Available pack sizes: Get quote.
[3-[[(2S)-5-[(1-amino-2-chloroethylidene)amino]-1-(benzylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]boronic acid (CAS 2642327-44-2) is a chemical compound with the molecular formula C21H26BClN4O4 and a molecular weight of 444.7 g/mol. IUPAC name: [3-[[(2S)-5-[(1-amino-2-chloroethylidene)amino]-1-(benzylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]boronic acid. InChIKey: QHGIRHHYXMSBAA-SFHVURJKSA-N.
| Molecular formula | C21H26BClN4O4 |
|---|---|
| Molecular weight | 444.7 g/mol |
| IUPAC name | [3-[[(2S)-5-[(1-amino-2-chloroethylidene)amino]-1-(benzylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]boronic acid |
| InChIKey | QHGIRHHYXMSBAA-SFHVURJKSA-N |
| SMILES | B(C1=CC(=CC=C1)C(=O)N[C@@H](CCCN=C(CCl)N)C(=O)NCC2=CC=CC=C2)(O)O |
Computed by PubChem (NCBI)