4-(2-azanyl-1,3-thiazol-4-yl)-3-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-4-[[(2E)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyiminoethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-(2-azanyl-1,3-thiazol-4-yl)-3-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-4-[[(2E)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyiminoethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-(2-aminothiazol-4-yl)-3-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-[[(2E)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-(2-amino-4-thiazolyl)-3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-[[(2E)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-(2-amino-1,3-thiazol-4-yl)-3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-[[(2E)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-(2-aminothiazol-4-yl)-3-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-[[(2E)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)oximinoacetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H23N5O9S2 MolecularWeight: 589.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)ON=CC(=O)NC1(C(=C(N2C(S1)CC2=O)C(=O)O)C=CC3=CC(=C(C=C3)O)O)C4=CSC(=N4)N

Isomeric SMILES

CC(C)(C(=O)O)O/N=C/C(=O)NC1(C(=C(N2C(S1)CC2=O)C(=O)O)/C=C/C3=CC(=C(C=C3)O)O)C4=CSC(=N4)N

InChI

InChI=1S/C24H23N5O9S2/c1-23(2,21(36)37)38-26-9-16(32)28-24(15-10-39-22(25)27-15)12(5-3-11-4-6-13(30)14(31)7-11)19(20(34)35)29-17(33)8-18(29)40-24/h3-7,9-10,18,30-31H,8H2,1-2H3,(H2,25,27)(H,28,32)(H,34,35)(H,36,37)/b5-3+,26-9+