(2S)-2-acetamido-3-[3,5-bis(bromanyl)-1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid

Systemtic Name: (2S)-2-acetamido-3-[3,5-bis(bromanyl)-1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid Openeye Name: (2S)-2-acetamido-3-(3,5-dibromo-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)propanoic acid CAS Name: (2S)-2-acetamido-3-(3,5-dibromo-1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)propanoic acid IUPAC Name: (2S)-2-acetamido-3-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoic acid Traditional Name: (2S)-2-acetamido-3-(3,5-dibromo-1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)propionic acid Formula: C11H11Br2NO5 MolecularWeight: 397.01674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1(C=C(C(=O)C(=C1)Br)Br)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC1(C=C(C(=O)C(=C1)Br)Br)O)C(=O)O

InChI

InChI=1S/C11H11Br2NO5/c1-5(15)14-8(10(17)18)4-11(19)2-6(12)9(16)7(13)3-11/h2-3,8,19H,4H2,1H3,(H,14,15)(H,17,18)/t8-/m0/s1