Products 503860-52-4
CAS 503860-52-4 is the registry number for Shishijimicin C. Offered by: MedChemExpress. Available pack sizes: Get quote.
Methyl N-[(1R,4Z,8S,13E)-8-[(2R,3R,4R,5R,6R)-3-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-5-(6-hydroxy-9H-pyrido[3,4-b]indole-1-carbonyl)-6-methyl-5-methylsulfanyloxan-2-yl]oxy-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate (CAS 503860-52-4) is a chemical compound with the molecular formula C45H50N4O12S4 and a molecular weight of 967.2 g/mol. IUPAC name: methyl N-[(1R,4Z,8S,13E)-8-[(2R,3R,4R,5R,6R)-3-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-5-(6-hydroxy-9H-pyrido[3,4-b]indole-1-carbonyl)-6-methyl-5-methylsulfanyloxan-2-yl]oxy-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate. InChIKey: MFKZOPIAQKMURV-DIKVFDHFSA-N.
| Molecular formula | C45H50N4O12S4 |
|---|---|
| Molecular weight | 967.2 g/mol |
| IUPAC name | methyl N-[(1R,4Z,8S,13E)-8-[(2R,3R,4R,5R,6R)-3-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-5-(6-hydroxy-9H-pyrido[3,4-b]indole-1-carbonyl)-6-methyl-5-methylsulfanyloxan-2-yl]oxy-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate |
| InChIKey | MFKZOPIAQKMURV-DIKVFDHFSA-N |
| SMILES | CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@]([C@H](O[C@H]2O[C@H]3C#C/C=C\C#C[C@@]\4(CC(=O)C(=C3/C4=C\CSSSC)NC(=O)OC)O)C)(C(=O)C5=NC=CC6=C5NC7=C6C=C(C=C7)O)SC)O |
Computed by PubChem (NCBI)
Synonyms:
Shishijimicin C