2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[3-[[4-bromanyl-5,6-bis(oxidanyl)-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-carboxyoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[3-[[4-bromanyl-5,6-bis(oxidanyl)-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-carboxyoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid Openeye Name: 2-[(E)-[1-(2-aminothiazol-4-yl)-2-[[3-[(4-bromo-5,6-dihydroxy-1,3-dioxo-isoindolin-2-yl)methyl]-2-carboxyoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid CAS Name: 2-[(E)-[1-(2-amino-4-thiazolyl)-2-[[3-[(4-bromo-5,6-dihydroxy-1,3-dioxo-2-isoindolyl)methyl]-2-carboxyoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid IUPAC Name: 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[3-[(4-bromo-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)methyl]-2-carboxyoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid Traditional Name: 2-[(E)-[1-(2-aminothiazol-4-yl)-2-[[3-[(4-bromo-5,6-dihydroxy-1,3-diketo-isoindolin-2-yl)methyl]-2-carboxyoxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-keto-ethylidene]amino]oxy-2-methyl-propionic acid Formula: C25H21BrN6O12S2 MolecularWeight: 741.50124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C(=O)C5=CC(=C(C(=C5C4=O)Br)O)O)OC(=O)O

Isomeric SMILES

CC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C(=O)C5=CC(=C(C(=C5C4=O)Br)O)O)OC(=O)O

InChI

InChI=1S/C25H21BrN6O12S2/c1-25(2,22(39)40)44-30-13(9-6-46-23(27)28-9)16(35)29-14-19(38)32-20(43-24(41)42)7(5-45-21(14)32)4-31-17(36)8-3-10(33)15(34)12(26)11(8)18(31)37/h3,6,14,21,33-34H,4-5H2,1-2H3,(H2,27,28)(H,29,35)(H,39,40)(H,41,42)/b30-13+