3-[[4-(2-azanylethylsulfanylmethyl)-1,2,3-thiadiazol-5-yl]sulfanyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(triphenylmethyl)peroxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[4-(2-azanylethylsulfanylmethyl)-1,2,3-thiadiazol-5-yl]sulfanyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(triphenylmethyl)peroxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[4-(2-aminoethylsulfanylmethyl)thiadiazol-5-yl]sulfanyl-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-tritylperoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[4-[(2-aminoethylthio)methyl]-5-thiadiazolyl]thio]-7-[[(2E)-2-(2-amino-4-thiazolyl)-1-oxo-2-(triphenylmethyl)dioxyiminoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[4-(2-aminoethylsulfanylmethyl)thiadiazol-5-yl]sulfanyl-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-tritylperoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[4-[(2-aminoethylthio)methyl]thiadiazol-5-yl]thio]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-trityloxyoximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C36H32N8O6S5 MolecularWeight: 833.01428

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CSC(=N6)N)C(=O)O)SC7=C(N=NS7)CSCCN

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C6=CSC(=N6)N)C(=O)O)SC7=C(N=NS7)CSCCN

InChI

InChI=1S/C36H32N8O6S5/c37-16-17-51-18-25-34(55-43-41-25)54-26-20-52-32-28(31(46)44(32)29(26)33(47)48)40-30(45)27(24-19-53-35(38)39-24)42-50-49-36(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19,28,32H,16-18,20,37H2,(H2,38,39)(H,40,45)(H,47,48)/b42-27+