2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[3-[[[3,4-bis(oxidanyl)-5-[(E)-3-phenylprop-2-enyl]phenyl]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-[[[3,4-bis(oxidanyl)-5-[(E)-3-phenylprop-2-enyl]phenyl]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-[[2-carboxyoxy-3-[[[3-[(E)-cinnamyl]-4,5-dihydroxy-benzoyl]amino]methyl]-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-[[[[3,4-dihydroxy-5-[(E)-3-phenylprop-2-enyl]phenyl]-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-[[[3,4-dihydroxy-5-[(E)-3-phenylprop-2-enyl]benzoyl]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)-[1-(2-aminothiazol-4-yl)-2-[[2-carboxyoxy-3-[[[3-[(E)-cinnamyl]-4,5-dihydroxy-benzoyl]amino]methyl]-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: C33H32N6O11S2 MolecularWeight: 752.77078

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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=CC(=C(C(=C4)O)O)CC=CC5=CC=CC=C5)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=CC(=C(C(=C4)O)O)C/C=C/C5=CC=CC=C5)OC(=O)O

InChI

InChI=1S/C33H32N6O11S2/c1-33(2,30(45)46)50-38-22(20-15-52-31(34)36-20)26(43)37-23-27(44)39-28(49-32(47)48)19(14-51-29(23)39)13-35-25(42)18-11-17(24(41)21(40)12-18)10-6-9-16-7-4-3-5-8-16/h3-9,11-12,15,23,29,40-41H,10,13-14H2,1-2H3,(H2,34,36)(H,35,42)(H,37,43)(H,45,46)(H,47,48)/b9-6+,38-22+