Products 2553412-83-0
CAS 2553412-83-0 is the registry number for Mal-Val-Ala-PAB-NMe-CH2CH2-O-CO-Dazostinag. Offered by: MedChemExpress. Available pack sizes: Get quote.
[4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[2-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9-fluoro-17-(5-fluoro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-12,18-dihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]purin-6-yl]carbamoyloxy]ethyl]-N-methylcarbamate (CAS 2553412-83-0) is a chemical compound with the molecular formula C51H61F2N13O19P2S2 and a molecular weight of 1324.2 g/mol. IUPAC name: [4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[2-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9-fluoro-17-(5-fluoro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-12,18-dihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]purin-6-yl]carbamoyloxy]ethyl]-N-methylcarbamate. InChIKey: ITNQHKQBGGSADC-GVYGHZRVSA-N.
| Molecular formula | C51H61F2N13O19P2S2 |
|---|---|
| Molecular weight | 1324.2 g/mol |
| IUPAC name | [4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[2-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9-fluoro-17-(5-fluoro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-12,18-dihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]purin-6-yl]carbamoyloxy]ethyl]-N-methylcarbamate |
| InChIKey | ITNQHKQBGGSADC-GVYGHZRVSA-N |
| SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)COC(=O)N(C)CCOC(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O[C@@H]6[C@@H]([C@@H](COP(=S)(O5)O)O[C@H]6N7C=C(C8=C7N=CNC8=O)F)O)S)F)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN9C(=O)C=CC9=O |
Computed by PubChem (NCBI)