(6R,7R)-3-(acetyloxymethyl)-7-[[2-[[3-[(E)-furan-2-ylmethylideneamino]-2-oxidanylidene-imidazolidin-1-yl]carbonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-[[3-[(E)-furan-2-ylmethylideneamino]-2-oxidanylidene-imidazolidin-1-yl]carbonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-[[3-[(E)-2-furylmethyleneamino]-2-oxo-imidazolidine-1-carbonyl]amino]-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-[[[3-[(E)-2-furanylmethylideneamino]-2-oxo-1-imidazolidinyl]-oxomethyl]amino]-1-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-[[3-[(E)-furan-2-ylmethylideneamino]-2-oxoimidazolidine-1-carbonyl]amino]-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-[[3-[(E)-2-furfurylideneamino]-2-keto-imidazolidine-1-carbonyl]amino]-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H30N8O9S MolecularWeight: 642.6403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)NC(=O)N4CCN(C4=O)N=CC5=CC=CO5

Isomeric SMILES

CC1=C(C(=NN1C)C)C(C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)NC(=O)N4CCN(C4=O)/N=C/C5=CC=CO5

InChI

InChI=1S/C27H30N8O9S/c1-13-18(14(2)32(4)31-13)19(30-26(41)33-7-8-34(27(33)42)28-10-17-6-5-9-43-17)22(37)29-20-23(38)35-21(25(39)40)16(11-44-15(3)36)12-45-24(20)35/h5-6,9-10,19-20,24H,7-8,11-12H2,1-4H3,(H,29,37)(H,30,41)(H,39,40)/b28-10+/t19?,20-,24-/m1/s1