CAS 2089036-71-3 is the registry number for (alphaS,6R,7S)-6,7,8,8a-tetrahydro-6,7,8a-trihydroxy-2-(methylthio)-alpha-(((phenylmethoxy)carbonyl)amino)-imidazo(4,5-b)azepine-4(5H)-hexanoic Acid Phenylmethyl Ester. Offered by: TRC. Available pack sizes: 100mg.
Benzyl (2S)-6-[(6R,7S)-6,7,8a-trihydroxy-2-methylsulfanyl-5,6,7,8-tetrahydroimidazo[4,5-b]azepin-4-yl]-2-(phenylmethoxycarbonylamino)hexanoate (CAS 2089036-71-3) is a chemical compound with the molecular formula C29H36N4O7S and a molecular weight of 584.7 g/mol. IUPAC name: benzyl (2S)-6-[(6R,7S)-6,7,8a-trihydroxy-2-methylsulfanyl-5,6,7,8-tetrahydroimidazo[4,5-b]azepin-4-yl]-2-(phenylmethoxycarbonylamino)hexanoate. InChIKey: QZFSMFFINMAREL-OCMFMIAJSA-N.
| Molecular formula | C29H36N4O7S |
|---|---|
| Molecular weight | 584.7 g/mol |
| IUPAC name | benzyl (2S)-6-[(6R,7S)-6,7,8a-trihydroxy-2-methylsulfanyl-5,6,7,8-tetrahydroimidazo[4,5-b]azepin-4-yl]-2-(phenylmethoxycarbonylamino)hexanoate |
| InChIKey | QZFSMFFINMAREL-OCMFMIAJSA-N |
| SMILES | CSC1=NC2(C[C@@H]([C@@H](CN(C2=N1)CCCC[C@@H](C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O)O)O |
Computed by PubChem (NCBI)