CAS 3023438-33-4 is the registry number for CypE-IN-1. Offered by: MedChemExpress. Available pack sizes: Get quote.
[5-[4-[[(1S,4S,17S,22Z)-1-benzyl-17-carbamoyl-2,5,15,21,24-pentaoxo-3,6,16,20,25-pentazatricyclo[23.3.1.08,13]nonacosa-8,10,12,22-tetraen-4-yl]methyl]phenyl]-2-formylphenyl]boronic acid (CAS 3023438-33-4) is a chemical compound with the molecular formula C46H49BN6O9 and a molecular weight of 840.7 g/mol. IUPAC name: [5-[4-[[(1S,4S,17S,22Z)-1-benzyl-17-carbamoyl-2,5,15,21,24-pentaoxo-3,6,16,20,25-pentazatricyclo[23.3.1.08,13]nonacosa-8,10,12,22-tetraen-4-yl]methyl]phenyl]-2-formylphenyl]boronic acid. InChIKey: UNKUVNABSDHRGB-KQGODBBBSA-N.
| Molecular formula | C46H49BN6O9 |
|---|---|
| Molecular weight | 840.7 g/mol |
| IUPAC name | [5-[4-[[(1S,4S,17S,22Z)-1-benzyl-17-carbamoyl-2,5,15,21,24-pentaoxo-3,6,16,20,25-pentazatricyclo[23.3.1.08,13]nonacosa-8,10,12,22-tetraen-4-yl]methyl]phenyl]-2-formylphenyl]boronic acid |
| InChIKey | UNKUVNABSDHRGB-KQGODBBBSA-N |
| SMILES | B(C1=C(C=CC(=C1)C2=CC=C(C=C2)C[C@H]3C(=O)NCC4=CC=CC=C4CC(=O)N[C@@H](CCNC(=O)/C=C\C(=O)N5CCC[C@](C5)(C(=O)N3)CC6=CC=CC=C6)C(=O)N)C=O)(O)O |
Computed by PubChem (NCBI)