(6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(3,3-dimethylcyclobutyl)oxyimino-ethanoyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(3,3-dimethylcyclobutyl)oxyimino-ethanoyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(3,3-dimethylcyclobutoxy)imino-acetyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(3,3-dimethylcyclobutyl)oxyimino-1-oxoethyl]amino]-3-(1-imidazo[1,2-b]pyridazin-4-iumylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(3,3-dimethylcyclobutyl)oxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(3,3-dimethylcyclobutyl)oximino-acetyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H26N9O5S2+ MolecularWeight: 584.65054

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C1)ON=C(C2=NSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CN5C=C[N+]6=C5C=CC=N6)C(=O)O)C

Isomeric SMILES

CC1(CC(C1)O/N=C(/C2=NSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CN5C=C[N+]6=C5C=CC=N6)C(=O)O)C

InChI

InChI=1S/C24H25N9O5S2/c1-24(2)8-13(9-24)38-29-15(18-28-23(25)40-30-18)19(34)27-16-20(35)33-17(22(36)37)12(11-39-21(16)33)10-31-6-7-32-14(31)4-3-5-26-32/h3-7,13,16,21H,8-11H2,1-2H3,(H3-,25,27,28,30,34,36,37)/p+1/b29-15-/t16-,21-/m1/s1