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

Systemtic Name: [3-acetamido-7-butanoyl-4-ethanoyl-5,6-bis(oxidanyl)-2-oxidanylidene-oxepan-4-yl] ethanoate Openeye Name: (3-acetamido-4-acetyl-7-butanoyl-5,6-dihydroxy-2-oxo-oxepan-4-yl) acetate CAS Name: acetic acid [3-acetamido-4-acetyl-5,6-dihydroxy-2-oxo-7-(1-oxobutyl)-4-oxepanyl] ester IUPAC Name: (3-acetamido-4-acetyl-7-butanoyl-5,6-dihydroxy-2-oxooxepan-4-yl) acetate Traditional Name: acetic acid (3-acetamido-4-acetyl-7-butyryl-5,6-dihydroxy-2-keto-oxepan-4-yl) ester Formula: C16H23NO9 MolecularWeight: 373.35512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO9/c1-5-6-10(21)12-11(22)14(23)16(7(2)18,26-9(4)20)13(15(24)25-12)17-8(3)19/h11-14,22-23H,5-6H2,1-4H3,(H,17,19)