2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[3-[5-(carboxymethyl)-4-(3,4-diacetyloxyphenyl)-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]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[3-[5-(carboxymethyl)-4-(3,4-diacetyloxyphenyl)-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]oxy-2-methyl-propanoic acid Openeye Name: 2-[(E)-[1-(2-aminothiazol-4-yl)-2-[[3-[5-(carboxymethyl)-4-(3,4-diacetoxyphenyl)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]oxy-2-methyl-propanoic acid CAS Name: 2-[(E)-[1-(2-amino-4-thiazolyl)-2-[[3-[5-(carboxymethyl)-4-(3,4-diacetyloxyphenyl)-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-2-methylpropanoic acid IUPAC Name: 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[3-[5-(carboxymethyl)-4-(3,4-diacetyloxyphenyl)-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]oxy-2-methylpropanoic acid Traditional Name: 2-[(E)-[1-(2-aminothiazol-4-yl)-2-[[3-[5-(carboxymethyl)-4-(3,4-diacetoxyphenyl)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]oxy-2-methyl-propionic acid Formula: C32H28N6O14S4 MolecularWeight: 848.85652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=C(SC(=N2)C3=C(N4C(C(C4=O)(C=S)NC(=O)C(=NOC(C)(C)C(=O)O)C5=CSC(=N5)N)SC3)OC(=O)O)CC(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=C(SC(=N2)C3=C(N4C(C(C4=O)(C=S)NC(=O)/C(=N/OC(C)(C)C(=O)O)/C5=CSC(=N5)N)SC3)OC(=O)O)CC(=O)O)OC(=O)C

InChI

InChI=1S/C32H28N6O14S4/c1-12(39)49-17-6-5-14(7-18(17)50-13(2)40)21-19(8-20(41)42)56-24(35-21)15-9-54-27-32(11-53,26(44)38(27)25(15)51-30(47)48)36-23(43)22(16-10-55-29(33)34-16)37-52-31(3,4)28(45)46/h5-7,10-11,27H,8-9H2,1-4H3,(H2,33,34)(H,36,43)(H,41,42)(H,45,46)(H,47,48)/b37-22+