[azanyl-[[2-[[(6R,7R)-7-[2-[2-[bis(azanyl)methylideneamino]ethylsulfanyl]ethanoylamino]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]phenyl]methylsulfanyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [azanyl-[[2-[[(6R,7R)-7-[2-[2-[bis(azanyl)methylideneamino]ethylsulfanyl]ethanoylamino]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]phenyl]methylsulfanyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [amino-[[2-[[(6R,7R)-2-carboxy-7-[[2-(2-guanidinoethylsulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]phenyl]methylsulfanyl]methylene]ammonium; 2,2,2-trifluoroacetate CAS Name: [amino-[[2-[[(6R,7R)-2-carboxy-7-[[2-[2-(diaminomethylideneamino)ethylthio]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]phenyl]methylthio]methylidene]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [amino-[[2-[[(6R,7R)-2-carboxy-7-[[2-[2-(diaminomethylideneamino)ethylsulfanyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]phenyl]methylsulfanyl]methylidene]azanium; 2,2,2-trifluoroacetate Traditional Name: [amino-[[2-[[(6R,7R)-2-carboxy-7-[[2-(2-guanidinoethylthio)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]benzyl]thio]methylene]ammonium; 2,2,2-trifluoroacetate Formula: C22H26F3N7O6S4 MolecularWeight: 669.74035

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSCCN=C(N)N)C(=O)O)SC3=CC=CC=C3CSC(=[NH2+])N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSCCN=C(N)N)C(=O)O)SC3=CC=CC=C3CSC(=[NH2+])N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C20H25N7O4S4.C2HF3O2/c21-19(22)25-5-6-32-9-13(28)26-14-16(29)27-15(18(30)31)12(8-33-17(14)27)35-11-4-2-1-3-10(11)7-34-20(23)24;3-2(4,5)1(6)7/h1-4,14,17H,5-9H2,(H3,23,24)(H,26,28)(H,30,31)(H4,21,22,25);(H,6,7)/t14-,17-;/m1./s1