Products 2803608-05-9
CAS 2803608-05-9 is the registry number for STING agonist-49-CO-C2-mal-Cys. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2R)-2-amino-3-[1-[3-[3-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-4-yl]oxypropyl-methylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid (CAS 2803608-05-9) is a chemical compound with the molecular formula C49H59N15O11S and a molecular weight of 1066.2 g/mol. IUPAC name: (2R)-2-amino-3-[1-[3-[3-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-4-yl]oxypropyl-methylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid. InChIKey: GNRXZODTJMIHCM-ATJNAYIXSA-N.
| Molecular formula | C49H59N15O11S |
|---|---|
| Molecular weight | 1066.2 g/mol |
| IUPAC name | (2R)-2-amino-3-[1-[3-[3-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-4-yl]oxypropyl-methylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid |
| InChIKey | GNRXZODTJMIHCM-ATJNAYIXSA-N |
| SMILES | CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=C5OCCCN(C)C(=O)CCN6C(=O)CC(C6=O)SC[C@@H](C(=O)O)N)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C)C(=CC(=C3)C(=O)N)OC |
Computed by PubChem (NCBI)
Synonyms:
orb3174746