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mezlocillin
SpectraBase Compound ID DyPmJl3fEsq
InChI InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1
InChIKey YPBATNHYBCGSSN-VWPFQQQWSA-N
Mol Weight 539.58 g/mol
Molecular Formula C21H25N5O8S2
Exact Mass 539.114455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VIJQn3E7S2
Name mezlocillin
Alternate Name(s) (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxo-imidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[[(3-methylsulfonyl-2-oxo-1-imidazolidinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-7-keto-6-[[(2R)-2-[(2-keto-3-mesyl-imidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Formula C21H25N5O8S2
InChI InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1
InChIKey YPBATNHYBCGSSN-VWPFQQQWSA-N
Molecular Weight 539.578 g/mol
SMILES OC([C@]1(C(S[C@]2(N1C([C@]2(NC([C@](NC(N1C(N(S(=O)(=O)C)CC1)=O)=O)(c1ccccc1)[H])=O)[H])=O)[H])(C)C)[H])=O
SPLASH splash10-0udj-0920000000-0ed85b8aeeeeddafdfc5
Source of Spectrum CJ-1992-0-0
Wiley ID 1404440