1-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[3-[4-[3,4-bis(oxidanyl)phenyl]-5-(carboxymethyl)-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]oxycyclopropane-1-carboxylic acid

Systemtic Name: 1-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[3-[4-[3,4-bis(oxidanyl)phenyl]-5-(carboxymethyl)-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]oxycyclopropane-1-carboxylic acid Openeye Name: 1-[(E)-[1-(2-aminothiazol-4-yl)-2-[[3-[5-(carboxymethyl)-4-(3,4-dihydroxyphenyl)thiazol-2-yl]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxo-ethylidene]amino]oxycyclopropanecarboxylic acid CAS Name: 1-[(E)-[1-(2-amino-4-thiazolyl)-2-[[3-[5-(carboxymethyl)-4-(3,4-dihydroxyphenyl)-2-thiazolyl]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxy-1-cyclopropanecarboxylic acid IUPAC Name: 1-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[3-[5-(carboxymethyl)-4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid Traditional Name: 1-[(E)-[1-(2-aminothiazol-4-yl)-2-[[3-[5-(carboxymethyl)-4-(3,4-dihydroxyphenyl)thiazol-2-yl]-2-carboxyoxy-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-keto-ethylidene]amino]oxycyclopropanecarboxylic acid Formula: C28H22N6O12S4 MolecularWeight: 762.76728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)O)ON=C(C2=CSC(=N2)N)C(=O)NC3(C4N(C3=O)C(=C(CS4)C5=NC(=C(S5)CC(=O)O)C6=CC(=C(C=C6)O)O)OC(=O)O)C=S

Isomeric SMILES

C1CC1(C(=O)O)O/N=C(\C2=CSC(=N2)N)/C(=O)NC3(C4N(C3=O)C(=C(CS4)C5=NC(=C(S5)CC(=O)O)C6=CC(=C(C=C6)O)O)OC(=O)O)C=S

InChI

InChI=1S/C28H22N6O12S4/c29-25-30-12(8-49-25)18(33-46-27(3-4-27)24(41)42)19(39)32-28(9-47)22(40)34-21(45-26(43)44)11(7-48-23(28)34)20-31-17(15(50-20)6-16(37)38)10-1-2-13(35)14(36)5-10/h1-2,5,8-9,23,35-36H,3-4,6-7H2,(H2,29,30)(H,32,39)(H,37,38)(H,41,42)(H,43,44)/b33-18+