2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[3-[4-[3,4-bis(oxidanyl)phenyl]-1,3-thiazol-2-yl]-2-carboxyoxy-7-methanethioyl-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-[3,4-bis(oxidanyl)phenyl]-1,3-thiazol-2-yl]-2-carboxyoxy-7-methanethioyl-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-(3,4-dihydroxyphenyl)thiazol-2-yl]-7-methanethioyl-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-(3,4-dihydroxyphenyl)-2-thiazolyl]-7-methanethioyl-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-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-7-methanethioyl-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-(3,4-dihydroxyphenyl)thiazol-2-yl]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-keto-ethylidene]amino]oxy-2-methyl-propionic acid Formula: C26H22N6O10S4 MolecularWeight: 706.74708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NC(=CS4)C5=CC(=C(C=C5)O)O)OC(=O)O)C=S

Isomeric SMILES

CC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NC(=CS4)C5=CC(=C(C=C5)O)O)OC(=O)O)C=S

InChI

InChI=1S/C26H22N6O10S4/c1-25(2,22(37)38)42-31-16(13-8-46-23(27)29-13)17(35)30-26(9-43)20(36)32-19(41-24(39)40)11(6-45-21(26)32)18-28-12(7-44-18)10-3-4-14(33)15(34)5-10/h3-5,7-9,21,33-34H,6H2,1-2H3,(H2,27,29)(H,30,35)(H,37,38)(H,39,40)/b31-16+