2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[2-carboxyoxy-8-oxidanylidene-3-[[[5-oxidanyl-4-oxidanylidene-2-(prop-2-enoxyamino)cyclohexa-1,5-dien-1-yl]carbonylamino]methyl]-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-[[2-carboxyoxy-8-oxidanylidene-3-[[[5-oxidanyl-4-oxidanylidene-2-(prop-2-enoxyamino)cyclohexa-1,5-dien-1-yl]carbonylamino]methyl]-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)-[2-[[3-[[[2-(allyloxyamino)-5-hydroxy-4-oxo-cyclohexa-1,5-diene-1-carbonyl]amino]methyl]-2-carboxyoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-(2-aminothiazol-4-yl)-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid CAS Name: 2-[(E)-[1-(2-amino-4-thiazolyl)-2-[[2-carboxyoxy-3-[[[[5-hydroxy-4-oxo-2-(prop-2-enoxyamino)-1-cyclohexa-1,5-dienyl]-oxomethyl]amino]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-[[[5-hydroxy-4-oxo-2-(prop-2-enoxyamino)cyclohexa-1,5-diene-1-carbonyl]amino]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)-[2-[[3-[[[2-(allyloxyamino)-5-hydroxy-4-keto-cyclohexa-1,5-diene-1-carbonyl]amino]methyl]-2-carboxyoxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-(2-aminothiazol-4-yl)-2-keto-ethylidene]amino]oxy-2-methyl-propionic acid Formula: C27H29N7O12S2 MolecularWeight: 707.68886

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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)CNC(=O)C4=C(CC(=O)C(=C4)O)NOCC=C)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)CNC(=O)C4=C(CC(=O)C(=C4)O)NOCC=C)OC(=O)O

InChI

InChI=1S/C27H29N7O12S2/c1-4-5-44-32-13-7-16(36)15(35)6-12(13)19(37)29-8-11-9-47-23-18(21(39)34(23)22(11)45-26(42)43)31-20(38)17(14-10-48-25(28)30-14)33-46-27(2,3)24(40)41/h4,6,10,18,23,32,35H,1,5,7-9H2,2-3H3,(H2,28,30)(H,29,37)(H,31,38)(H,40,41)(H,42,43)/b33-17+