2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[3-[[4,7-bis(chloranyl)-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-[[4,7-bis(chloranyl)-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-[[2-carboxyoxy-3-[(4,7-dichloro-5,6-dihydroxy-1,3-dioxo-isoindolin-2-yl)methyl]-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-[[2-carboxyoxy-3-[(4,7-dichloro-5,6-dihydroxy-1,3-dioxo-2-isoindolyl)methyl]-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-[[2-carboxyoxy-3-[(4,7-dichloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)methyl]-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-[[2-carboxyoxy-3-[(4,7-dichloro-5,6-dihydroxy-1,3-diketo-isoindolin-2-yl)methyl]-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: C25H20Cl2N6O12S2 MolecularWeight: 731.4953

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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=C(C4=O)C(=C(C(=C5Cl)O)O)Cl)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=C(C4=O)C(=C(C(=C5Cl)O)O)Cl)OC(=O)O

InChI

InChI=1S/C25H20Cl2N6O12S2/c1-25(2,22(40)41)45-31-12(7-5-47-23(28)29-7)16(36)30-13-19(39)33-20(44-24(42)43)6(4-46-21(13)33)3-32-17(37)8-9(18(32)38)11(27)15(35)14(34)10(8)26/h5,13,21,34-35H,3-4H2,1-2H3,(H2,28,29)(H,30,36)(H,40,41)(H,42,43)/b31-12+