Products 2682939-56-4
CAS 2682939-56-4 is the registry number for Mal-Val-Ala-amide-(3)PEA-PNU-159682. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S,4S)-N-[2-[3-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]ethyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide (CAS 2682939-56-4) is a chemical compound with the molecular formula C53H60N6O17 and a molecular weight of 1053.1 g/mol. IUPAC name: (2S,4S)-N-[2-[3-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]ethyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide. InChIKey: RNYLQUQBGYHIBJ-OGIZWLKASA-N.
| Molecular formula | C53H60N6O17 |
|---|---|
| Molecular weight | 1053.1 g/mol |
| IUPAC name | (2S,4S)-N-[2-[3-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]ethyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide |
| InChIKey | RNYLQUQBGYHIBJ-OGIZWLKASA-N |
| SMILES | C[C@H]1[C@@H]2[C@H](C[C@@H](O1)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)NCCC7=CC(=CC=C7)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CN8C(=O)C=CC8=O)O)N9CCO[C@@H]([C@H]9O2)OC |
Computed by PubChem (NCBI)
Synonyms:
orb3028162, Mal-Val-Ala-amide-(3)PEA-PNU-159682