2-acetyloxy-2-[2-(iodanylmethyl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidin-1-yl]sulfanyl-ethanoate

Systemtic Name: 2-acetyloxy-2-[2-(iodanylmethyl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidin-1-yl]sulfanyl-ethanoate Openeye Name: 2-acetoxy-2-[3-[[2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-2-(iodomethyl)-4-oxo-azetidin-1-yl]sulfanyl-acetate CAS Name: 2-acetyloxy-2-[[2-(iodomethyl)-3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-4-oxo-1-azetidinyl]thio]acetate IUPAC Name: 2-acetyloxy-2-[2-(iodomethyl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-4-oxoazetidin-1-yl]sulfanylacetate Traditional Name: 2-acetoxy-2-[[3-[[2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-2-(iodomethyl)-4-keto-azetidin-1-yl]thio]acetate Formula: C21H25IN3O8S- MolecularWeight: 606.40797

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(=O)[O-])SN1C(C(C1=O)NC(=O)C(C2=CC=CC=C2)NC(=O)OC(C)(C)C)CI

Isomeric SMILES

CC(=O)OC(C(=O)[O-])SN1C(C(C1=O)NC(=O)C(C2=CC=CC=C2)NC(=O)OC(C)(C)C)CI

InChI

InChI=1S/C21H26IN3O8S/c1-11(26)32-19(18(29)30)34-25-13(10-22)15(17(25)28)23-16(27)14(12-8-6-5-7-9-12)24-20(31)33-21(2,3)4/h5-9,13-15,19H,10H2,1-4H3,(H,23,27)(H,24,31)(H,29,30)/p-1