(6R,7R)-3-[[3-(aminocarbonylamino)imidazo[1,2-b]pyridazin-4-ium-1-yl]methyl]-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7R)-3-[[3-(aminocarbonylamino)imidazo[1,2-b]pyridazin-4-ium-1-yl]methyl]-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(cyclopentoxyimino)acetyl]amino]-8-oxo-3-[(3-ureidoimidazo[1,2-b]pyridazin-4-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyimino-1-oxoethyl]amino]-3-[[3-(carbamoylamino)-1-imidazo[1,2-b]pyridazin-4-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetyl]amino]-3-[[3-(carbamoylamino)imidazo[1,2-b]pyridazin-4-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloximino-acetyl]amino]-8-keto-3-[(3-ureidoimidazo[1,2-b]pyridazin-4-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H25N11O6S2 MolecularWeight: 627.6554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)ON=C(C2=NSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CN5C=C([N+]6=C5C=CC=N6)NC(=O)N)C(=O)[O-]

Isomeric SMILES

C1CCC(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)NC(=O)N)C(=O)[O-]

InChI

InChI=1S/C24H25N11O6S2/c25-23(40)28-13-9-33(14-6-3-7-27-35(13)14)8-11-10-42-21-16(20(37)34(21)17(11)22(38)39)29-19(36)15(18-30-24(26)43-32-18)31-41-12-4-1-2-5-12/h3,6-7,9,12,16,21H,1-2,4-5,8,10H2,(H6-,25,26,27,28,29,30,32,36,38,39,40)/b31-15-/t16-,21-/m1/s1