2-[[3-[(E)-3-(1-aminocarbonyl-2-oxidanylidene-azetidin-3-yl)-5-azanyl-2-azanyloxy-2-methyl-5-oxidanylidene-pent-3-enoyl]oxysulfonyl-2-oxidanylidene-imidazolidin-1-yl]carbamoyl]-4,5-bis(oxidanyl)benzoic acid

Systemtic Name: 2-[[3-[(E)-3-(1-aminocarbonyl-2-oxidanylidene-azetidin-3-yl)-5-azanyl-2-azanyloxy-2-methyl-5-oxidanylidene-pent-3-enoyl]oxysulfonyl-2-oxidanylidene-imidazolidin-1-yl]carbamoyl]-4,5-bis(oxidanyl)benzoic acid Openeye Name: 2-[[3-[(E)-5-amino-2-aminooxy-3-(1-carbamoyl-2-oxo-azetidin-3-yl)-2-methyl-5-oxo-pent-3-enoyl]oxysulfonyl-2-oxo-imidazolidin-1-yl]carbamoyl]-4,5-dihydroxy-benzoic acid CAS Name: 2-[[[3-[(E)-5-amino-2-aminooxy-3-(1-carbamoyl-2-oxo-3-azetidinyl)-2-methyl-1,5-dioxopent-3-enoxy]sulfonyl-2-oxo-1-imidazolidinyl]amino]-oxomethyl]-4,5-dihydroxybenzoic acid IUPAC Name: 2-[[3-[(E)-5-amino-2-aminooxy-3-(1-carbamoyl-2-oxoazetidin-3-yl)-2-methyl-5-oxopent-3-enoyl]oxysulfonyl-2-oxoimidazolidin-1-yl]carbamoyl]-4,5-dihydroxybenzoic acid Traditional Name: 2-[[3-[(E)-5-amino-2-aminooxy-3-(1-carbamoyl-2-keto-azetidin-3-yl)-5-keto-2-methyl-pent-3-enoyl]oxysulfonyl-2-keto-imidazolidin-1-yl]carbamoyl]-4,5-dihydroxy-benzoic acid Formula: C21H23N7O14S MolecularWeight: 629.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CC(=O)N)C1CN(C1=O)C(=O)N)(C(=O)OS(=O)(=O)N2CCN(C2=O)NC(=O)C3=CC(=C(C=C3C(=O)O)O)O)ON

Isomeric SMILES

CC(/C(=C/C(=O)N)/C1CN(C1=O)C(=O)N)(C(=O)OS(=O)(=O)N2CCN(C2=O)NC(=O)C3=CC(=C(C=C3C(=O)O)O)O)ON

InChI

InChI=1S/C21H23N7O14S/c1-21(42-24,11(6-14(22)31)10-7-26(16(10)33)19(23)37)18(36)41-43(39,40)28-3-2-27(20(28)38)25-15(32)8-4-12(29)13(30)5-9(8)17(34)35/h4-6,10,29-30H,2-3,7,24H2,1H3,(H2,22,31)(H2,23,37)(H,25,32)(H,34,35)/b11-6+