2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[3-[[[2-(butoxyamino)-5-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbonylamino]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-[[[2-(butoxyamino)-5-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbonylamino]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-[[[2-(butoxyamino)-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]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid CAS Name: 2-[(E)-[1-(2-amino-4-thiazolyl)-2-[[3-[[[[2-(butoxyamino)-5-hydroxy-4-oxo-1-cyclohexa-1,5-dienyl]-oxomethyl]amino]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-[[[2-(butoxyamino)-5-hydroxy-4-oxocyclohexa-1,5-diene-1-carbonyl]amino]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-[[[2-(butoxyamino)-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]-2-keto-ethylidene]amino]oxy-2-methyl-propionic acid Formula: C28H33N7O12S2 MolecularWeight: 723.73132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCONC1=C(C=C(C(=O)C1)O)C(=O)NCC2=C(N3C(C(C3=O)NC(=O)C(=NOC(C)(C)C(=O)O)C4=CSC(=N4)N)SC2)OC(=O)O

Isomeric SMILES

CCCCONC1=C(C=C(C(=O)C1)O)C(=O)NCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC(C)(C)C(=O)O)/C4=CSC(=N4)N)SC2)OC(=O)O

InChI

InChI=1S/C28H33N7O12S2/c1-4-5-6-45-33-14-8-17(37)16(36)7-13(14)20(38)30-9-12-10-48-24-19(22(40)35(24)23(12)46-27(43)44)32-21(39)18(15-11-49-26(29)31-15)34-47-28(2,3)25(41)42/h7,11,19,24,33,36H,4-6,8-10H2,1-3H3,(H2,29,31)(H,30,38)(H,32,39)(H,41,42)(H,43,44)/b34-18+