(6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]ethoxyimino]ethanoyl]amino]-8-oxidanylidene-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]ethoxyimino]ethanoyl]amino]-8-oxidanylidene-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[1-(1,5-dihydroxy-4-oxo-2-pyridyl)ethoxyimino]acetyl]amino]-8-oxo-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[1-(1,5-dihydroxy-4-oxo-2-pyridinyl)ethoxyimino]-1-oxoethyl]amino]-8-oxo-3-[(1,2,4-thiadiazol-5-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-(1,5-dihydroxy-4-oxopyridin-2-yl)ethoxyimino]acetyl]amino]-8-oxo-3-(1,2,4-thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[1-(1,5-dihydroxy-4-keto-2-pyridyl)ethyloximino]acetyl]amino]-8-keto-3-[(1,2,4-thiadiazol-5-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H20N8O8S4 MolecularWeight: 652.703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=O)C(=CN1O)O)ON=C(C2=CSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NC=NS5)C(=O)O

Isomeric SMILES

CC(C1=CC(=O)C(=CN1O)O)O/N=C(\C2=CSC(=N2)N)/C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NC=NS5)C(=O)O

InChI

InChI=1S/C22H20N8O8S4/c1-8(11-2-12(31)13(32)3-29(11)37)38-28-14(10-6-40-21(23)26-10)17(33)27-15-18(34)30-16(20(35)36)9(4-39-19(15)30)5-41-22-24-7-25-42-22/h2-3,6-8,15,19,32,37H,4-5H2,1H3,(H2,23,26)(H,27,33)(H,35,36)/b28-14+/t8?,15-,19-/m1/s1