Products 99674-26-7

CAS 99674-26-7 appears in our catalog under these names: Esperamicin A1, Eesperamicin A1. Offered by: Hubei YoungXin, MedChemExpress. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, Get quote.

Esperamicin A1
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Eesperamicin A1
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

[(2S,3R,4S,6S)-3-hydroxy-6-[[(2S,5Z,9R,10S,13E)-9-hydroxy-2-[(2R,3R,4S,5S,6R)-4-hydroxy-5-[[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl]oxyamino]-3-[(2S,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate (CAS 99674-26-7) is a chemical compound with the molecular formula C59H80N4O22S4 and a molecular weight of 1325.5 g/mol. IUPAC name: [(2S,3R,4S,6S)-3-hydroxy-6-[[(2S,5Z,9R,10S,13E)-9-hydroxy-2-[(2R,3R,4S,5S,6R)-4-hydroxy-5-[[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl]oxyamino]-3-[(2S,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate. InChIKey: LJQQFQHBKUKHIS-IIZLOWFNSA-N.

Identity
Molecular formulaC59H80N4O22S4
Molecular weight1325.5 g/mol
IUPAC name[(2S,3R,4S,6S)-3-hydroxy-6-[[(2S,5Z,9R,10S,13E)-9-hydroxy-2-[(2R,3R,4S,5S,6R)-4-hydroxy-5-[[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl]oxyamino]-3-[(2S,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate
InChIKeyLJQQFQHBKUKHIS-IIZLOWFNSA-N
SMILESC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=C\C#C[C@@]\3([C@@H](C(=O)C(=C2/C3=C\CSSSC)NC(=O)OC)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)O[C@H]6C[C@@H]([C@H](CO6)NC(C)C)OC)O)NO[C@H]7C[C@@H]([C@@H]([C@H](O7)C)SC)O

Computed by PubChem (NCBI)

Synonyms: Esperamicin A1, Eesperamicin A1, Esperamicin A(sub 1)