(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[4-(carbamimidoylsulfanylmethyl)-1,2,3-thiadiazol-5-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[4-(carbamimidoylsulfanylmethyl)-1,2,3-thiadiazol-5-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[4-(carbamimidoylsulfanylmethyl)thiadiazol-5-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2,2,2-trifluoroacetic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[4-[(carbamimidoylthio)methyl]-5-thiadiazolyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[4-(carbamimidoylsulfanylmethyl)thiadiazol-5-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2,2,2-trifluoroacetic acid Traditional Name: (6R,7R)-3-[[4-[(amidinothio)methyl]thiadiazol-5-yl]thio]-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2,2,2-trifluoroacetic acid Formula: C18H16F3N9O7S5 MolecularWeight: 687.69595

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O)SC4=C(N=NS4)CSC(=N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)O)SC4=C(N=NS4)CSC(=N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H15N9O5S5.C2HF3O2/c17-15(18)32-2-5-14(35-24-22-5)34-6-3-31-12-8(11(27)25(12)9(6)13(28)29)21-10(26)7(23-30)4-1-33-16(19)20-4;3-2(4,5)1(6)7/h1,8,12,30H,2-3H2,(H3,17,18)(H2,19,20)(H,21,26)(H,28,29);(H,6,7)/b23-7-;/t8-,12-;/m1./s1