7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-3-[(E)-[2-[(4-methylpiperazin-1-yl)amino]imidazolidin-1-yl]iminomethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-3-[(E)-[2-[(4-methylpiperazin-1-yl)amino]imidazolidin-1-yl]iminomethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-[2-[(4-methylpiperazin-1-yl)amino]imidazolidin-1-yl]iminomethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-3-[(E)-[2-[(4-methyl-1-piperazinyl)amino]-1-imidazolidinyl]iminomethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-[2-[(4-methylpiperazin-1-yl)amino]imidazolidin-1-yl]iminomethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethyloximino)acetyl]amino]-3-[(E)-[2-[(4-methylpiperazino)amino]imidazolidin-1-yl]iminomethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H31FN12O4S2 MolecularWeight: 598.677243

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2NCCN2N=CC3=C(N4CC(C4SC3)NC(=O)C(=NOCF)C5=NSC(=N5)N)C(=O)O

Isomeric SMILES

CN1CCN(CC1)NC2NCCN2/N=C/C3=C(N4CC(C4SC3)NC(=O)/C(=N/OCF)/C5=NSC(=N5)N)C(=O)O

InChI

InChI=1S/C21H31FN12O4S2/c1-31-4-6-32(7-5-31)28-21-24-2-3-34(21)25-8-12-10-39-18-13(9-33(18)15(12)19(36)37)26-17(35)14(29-38-11-22)16-27-20(23)40-30-16/h8,13,18,21,24,28H,2-7,9-11H2,1H3,(H,26,35)(H,36,37)(H2,23,27,30)/b25-8+,29-14+