3-[(E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanyl-pyrrolidin-1-ium-1-yl]prop-1-enyl]-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanyl-pyrrolidin-1-ium-1-yl]prop-1-enyl]-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(E)-3-[1-(2-amino-2-oxo-ethyl)-3-hydroxy-pyrrolidin-1-ium-1-yl]prop-1-enyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(E)-3-[1-(2-amino-2-oxoethyl)-3-hydroxy-1-pyrrolidin-1-iumyl]prop-1-enyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(E)-3-[1-(2-amino-2-oxoethyl)-3-hydroxypyrrolidin-1-ium-1-yl]prop-1-enyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(E)-3-[1-(2-amino-2-keto-ethyl)-3-hydroxy-pyrrolidin-1-ium-1-yl]prop-1-enyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethyloximino)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H26FN8O7S2+ MolecularWeight: 585.608943

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC1O)(CC=CC2=C(N3C(C(C3=O)NC(=O)C(=NOCF)C4=NSC(=N4)N)SC2)C(=O)O)CC(=O)N

Isomeric SMILES

C1C[N+](CC1O)(C/C=C/C2=C(N3C(C(C3=O)NC(=O)/C(=N/OCF)/C4=NSC(=N4)N)SC2)C(=O)O)CC(=O)N

InChI

InChI=1S/C21H25FN8O7S2/c22-9-37-27-13(16-26-21(24)39-28-16)17(33)25-14-18(34)29-15(20(35)36)10(8-38-19(14)29)2-1-4-30(7-12(23)32)5-3-11(31)6-30/h1-2,11,14,19,31H,3-9H2,(H5-,23,24,25,26,28,32,33,35,36)/p+1/b2-1+,27-13+