(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-(carbamimidoylsulfanylmethyl)pyridin-4-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-[3-(carbamimidoylsulfanylmethyl)pyridin-4-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-[[3-(carbamimidoylsulfanylmethyl)-4-pyridyl]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-[[3-[(carbamimidoylthio)methyl]-4-pyridinyl]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-[3-(carbamimidoylsulfanylmethyl)pyridin-4-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-[[3-[(amidinothio)methyl]-4-pyridyl]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: C21H19F3N8O7S4 MolecularWeight: 680.68017

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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(C=NC=C4)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(C=NC=C4)CSC(=N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H18N8O5S4.C2HF3O2/c20-18(21)34-4-7-3-23-2-1-9(7)36-10-6-33-16-12(15(29)27(16)13(10)17(30)31)25-14(28)11(26-32)8-5-35-19(22)24-8;3-2(4,5)1(6)7/h1-3,5,12,16,32H,4,6H2,(H3,20,21)(H2,22,24)(H,25,28)(H,30,31);(H,6,7)/b26-11-;/t12-,16-;/m1./s1