2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-(dihydroxyboranylmethylamino)-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-(dihydroxyboranylmethylamino)-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid Openeye Name: 2-[(E)-[1-(2-aminothiazol-4-yl)-2-(boronomethylamino)-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid CAS Name: 2-[(E)-[1-(2-amino-4-thiazolyl)-2-(boronomethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid IUPAC Name: 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-(boronomethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid Traditional Name: 2-[(E)-[1-(2-aminothiazol-4-yl)-2-(boronomethylamino)-2-keto-ethylidene]amino]oxy-2-methyl-propionic acid Formula: C10H15BN4O6S MolecularWeight: 330.1253

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Descriptors Computed from Structure

Canonical SMILES:

B(CNC(=O)C(=NOC(C)(C)C(=O)O)C1=CSC(=N1)N)(O)O

Isomeric SMILES

B(CNC(=O)/C(=N/OC(C)(C)C(=O)O)/C1=CSC(=N1)N)(O)O

InChI

InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/b15-6+