2-[[6-oxidanylidene-2-[3-oxidanyl-3-oxidanylidene-2-(1,4-thiazepan-4-yl)propyl]cyclohexa-2,4-dien-1-yl]amino]decanoic acid

Systemtic Name: 2-[[6-oxidanylidene-2-[3-oxidanyl-3-oxidanylidene-2-(1,4-thiazepan-4-yl)propyl]cyclohexa-2,4-dien-1-yl]amino]decanoic acid Openeye Name: 2-[[2-[3-hydroxy-3-oxo-2-(1,4-thiazepan-4-yl)propyl]-6-oxo-cyclohexa-2,4-dien-1-yl]amino]decanoic acid CAS Name: 2-[[2-[3-hydroxy-3-oxo-2-(1,4-thiazepan-4-yl)propyl]-6-oxo-1-cyclohexa-2,4-dienyl]amino]decanoic acid IUPAC Name: 2-[[2-[3-hydroxy-3-oxo-2-(1,4-thiazepan-4-yl)propyl]-6-oxocyclohexa-2,4-dien-1-yl]amino]decanoic acid Traditional Name: 2-[[2-[3-hydroxy-3-keto-2-(1,4-thiazepan-4-yl)propyl]-6-keto-cyclohexa-2,4-dien-1-yl]amino]capric acid Formula: C24H38N2O5S MolecularWeight: 466.63392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)NC1C(=O)C=CC=C1CC(C(=O)O)N2CCCSCC2

Isomeric SMILES

CCCCCCCCC(C(=O)O)NC1C(=O)C=CC=C1CC(C(=O)O)N2CCCSCC2

InChI

InChI=1S/C24H38N2O5S/c1-2-3-4-5-6-7-11-19(23(28)29)25-22-18(10-8-12-21(22)27)17-20(24(30)31)26-13-9-15-32-16-14-26/h8,10,12,19-20,22,25H,2-7,9,11,13-17H2,1H3,(H,28,29)(H,30,31)