(6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyimino-ethanoyl]amino]-3-[(E)-4-(1-methylimidazo[1,2-b]pyridazin-4-ium-6-yl)but-1-enyl]-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-cyclopentyloxyimino-ethanoyl]amino]-3-[(E)-4-(1-methylimidazo[1,2-b]pyridazin-4-ium-6-yl)but-1-enyl]-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-(cyclopentoxyimino)acetyl]amino]-3-[(E)-4-(1-methylimidazo[1,2-b]pyridazin-4-ium-6-yl)but-1-enyl]-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-cyclopentyloxyimino-1-oxoethyl]amino]-3-[(E)-4-(1-methyl-6-imidazo[1,2-b]pyridazin-4-iumyl)but-1-enyl]-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-cyclopentyloxyiminoacetyl]amino]-3-[(E)-4-(1-methylimidazo[1,2-b]pyridazin-4-ium-6-yl)but-1-enyl]-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-cyclopentyloximino-acetyl]amino]-8-keto-3-[(E)-4-(1-methylimidazo[1,2-b]pyridazin-4-ium-6-yl)but-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H30N9O5S2+ MolecularWeight: 624.7144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+]2=C1C=CC(=N2)CCC=CC3=C(N4C(C(C4=O)NC(=O)C(=NOC5CCCC5)C6=NSC(=N6)N)SC3)C(=O)O

Isomeric SMILES

CN1C=C[N+]2=C1C=CC(=N2)CC/C=C/C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC5CCCC5)/C6=NSC(=N6)N)SC3)C(=O)O

InChI

InChI=1S/C27H29N9O5S2/c1-34-12-13-35-18(34)11-10-16(31-35)7-3-2-6-15-14-42-25-20(24(38)36(25)21(15)26(39)40)29-23(37)19(22-30-27(28)43-33-22)32-41-17-8-4-5-9-17/h2,6,10-13,17,20,25H,3-5,7-9,14H2,1H3,(H3-,28,29,30,33,37,39,40)/p+1/b6-2+,32-19-/t20-,25-/m1/s1