5-azanyl-5-oxidanylidene-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-amino-5-oxo-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]pentanoic acid CAS Name: 5-amino-5-oxo-2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]pentanoic acid IUPAC Name: 5-amino-5-oxo-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]pentanoic acid Traditional Name: 5-amino-5-keto-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]valeric acid Formula: C13H13Br3N2O6S MolecularWeight: 565.02912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C(Br)(Br)Br)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C(Br)(Br)Br)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C13H13Br3N2O6S/c14-13(15,16)25(23,24)8-3-1-2-7(6-8)11(20)18-9(12(21)22)4-5-10(17)19/h1-3,6,9H,4-5H2,(H2,17,19)(H,18,20)(H,21,22)