[3-acetamido-4-ethanoyl-5,6-bis(oxidanyl)-2-oxidanylidene-7-propanoyl-oxepan-4-yl] ethanoate

Systemtic Name: [3-acetamido-4-ethanoyl-5,6-bis(oxidanyl)-2-oxidanylidene-7-propanoyl-oxepan-4-yl] ethanoate Openeye Name: (3-acetamido-4-acetyl-5,6-dihydroxy-2-oxo-7-propanoyl-oxepan-4-yl) acetate CAS Name: acetic acid [3-acetamido-4-acetyl-5,6-dihydroxy-2-oxo-7-(1-oxopropyl)-4-oxepanyl] ester IUPAC Name: (3-acetamido-4-acetyl-5,6-dihydroxy-2-oxo-7-propanoyloxepan-4-yl) acetate Traditional Name: acetic acid (3-acetamido-4-acetyl-5,6-dihydroxy-2-keto-7-propionyl-oxepan-4-yl) ester Formula: C15H21NO9 MolecularWeight: 359.32854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(C(C(C(C(=O)O1)NC(=O)C)(C(=O)C)OC(=O)C)O)O

Isomeric SMILES

CCC(=O)C1C(C(C(C(C(=O)O1)NC(=O)C)(C(=O)C)OC(=O)C)O)O

InChI

InChI=1S/C15H21NO9/c1-5-9(20)11-10(21)13(22)15(6(2)17,25-8(4)19)12(14(23)24-11)16-7(3)18/h10-13,21-22H,5H2,1-4H3,(H,16,18)