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6-{[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

View entire compound with spectra: 2 NMR

6-{[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SpectraBase Compound ID 12EywNKP1fx
InChI InChI=1S/C15H18N4O6S/c1-15(2)8(13(23)24)19-11(22)7(12(19)26-15)16-5-6-9(20)17(3)14(25)18(4)10(6)21/h5,7-8,12,16H,1-4H3,(H,23,24)
InChIKey SWFXBXZUKIQEGK-UHFFFAOYSA-N
Mol Weight 382.39 g/mol
Molecular Formula C15H18N4O6S
Exact Mass 382.094705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4X5456yr3k
Name 6-{[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.094705484 u
Formula C15H18N4O6S
InChI InChI=1S/C15H18N4O6S/c1-15(2)8(13(23)24)19-11(22)7(12(19)26-15)16-5-6-9(20)17(3)14(25)18(4)10(6)21/h5,7-8,12,16H,1-4H3,(H,23,24)
InChIKey SWFXBXZUKIQEGK-UHFFFAOYSA-N
Molecular Weight 382.391 g/mol
SMILES N(C=C1C(N(C)C(N(C1=O)C)=O)=O)C1C2N(C(C(=O)O)C(S2)(C)C)C1=O