(6R,7R)-3-(acetyloxymethyl)-7-[[2-[[3-[(E)-furan-3-ylideneamino]-2-oxidanylidene-imidazolidin-1-yl]carbonylamino]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-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-3-ylideneamino]-2-oxidanylidene-imidazolidin-1-yl]carbonylamino]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-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-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-[[3-[(E)-3-furylideneamino]-2-oxo-imidazolidine-1-carbonyl]amino]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)-3-furanylideneamino]-2-oxo-1-imidazolidinyl]-oxomethyl]amino]-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]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-3-ylideneamino]-2-oxoimidazolidine-1-carbonyl]amino]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-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-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-[[3-[(E)-3-furylideneamino]-2-keto-imidazolidine-1-carbonyl]amino]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C28H32N8O11S2 MolecularWeight: 720.73068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CSC(=N3)NC(=O)OC(C)(C)C)NC(=O)N4CCN(C4=O)N=C5COC=C5)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CSC(=N3)NC(=O)OC(C)(C)C)NC(=O)N4CCN(C4=O)/N=C\5/COC=C5)SC1)C(=O)O

InChI

InChI=1S/C28H32N8O11S2/c1-13(37)46-9-14-11-48-22-18(21(39)36(22)19(14)23(40)41)30-20(38)17(16-12-49-24(29-16)32-26(43)47-28(2,3)4)31-25(42)34-6-7-35(27(34)44)33-15-5-8-45-10-15/h5,8,12,17-18,22H,6-7,9-11H2,1-4H3,(H,30,38)(H,31,42)(H,40,41)(H,29,32,43)/b33-15+/t17?,18-,22-/m1/s1