2-[2-[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4-[3,4-bis(oxidanyl)phenyl]-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4-[3,4-bis(oxidanyl)phenyl]-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4-(3,4-dihydroxyphenyl)thiazol-5-yl]acetic acid CAS Name: 2-[2-[7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4-(3,4-dihydroxyphenyl)-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4-(3,4-dihydroxyphenyl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-carboxyoxy-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4-(3,4-dihydroxyphenyl)thiazol-5-yl]acetic acid Formula: C25H20N6O10S4 MolecularWeight: 692.7205

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NC(=C(S4)CC(=O)O)C5=CC(=C(C=C5)O)O)OC(=O)O)C=S

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NC(=C(S4)CC(=O)O)C5=CC(=C(C=C5)O)O)OC(=O)O)C=S

InChI

InChI=1S/C25H20N6O10S4/c1-40-30-17(11-7-44-23(26)27-11)18(36)29-25(8-42)21(37)31-20(41-24(38)39)10(6-43-22(25)31)19-28-16(14(45-19)5-15(34)35)9-2-3-12(32)13(33)4-9/h2-4,7-8,22,32-33H,5-6H2,1H3,(H2,26,27)(H,29,36)(H,34,35)(H,38,39)/b30-17+