Products 2803608-03-7
CAS 2803608-03-7 is the registry number for STING agonist-49-PAB-Ala-Val-CO-C2-mal. Offered by: MedChemExpress. Available pack sizes: Get quote.
[4-[[(2S)-2-[[(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[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]-N-methylcarbamate (CAS 2803608-03-7) is a chemical compound with the molecular formula C62H73N17O13 and a molecular weight of 1264.3 g/mol. IUPAC name: [4-[[(2S)-2-[[(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[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]-N-methylcarbamate. InChIKey: PFQGYPQASSLMCA-GUNOJBOUSA-N.
| Molecular formula | C62H73N17O13 |
|---|---|
| Molecular weight | 1264.3 g/mol |
| IUPAC name | [4-[[(2S)-2-[[(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[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]-N-methylcarbamate |
| InChIKey | PFQGYPQASSLMCA-GUNOJBOUSA-N |
| SMILES | CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=C5OCCCN(C)C(=O)OCC6=CC=C(C=C6)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CCN7C(=O)C=CC7=O)C(=O)N)N=C4NC(=O)C8=CC(=NN8CC)C)C(=CC(=C3)C(=O)N)OC |
Computed by PubChem (NCBI)
Synonyms:
orb3174382