(2Z,4S,5R)-N-{4-[(2,3-Dihydroxybenzoyl)Amino]Butyl}-N-{3-[(2,3-Dihydroxybenzoyl)Amino]Propyl}-5-Methyl-2-(6-Oxo-2,4-Cyclohexadien-1-Ylidene)-1,3-Oxazolidine-4-Carboxamide

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Properties Simple | Detailed

Formula C32H36N4O9
IUPAC Name (2z,4s,5r)-n-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-n-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-5-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)oxazolidine-4-carboxamide
Molecular Mass 620.650 g·mol−1
Heat of Formation -1312.7 ± 16.7 kJ·mol−1
Dipole Moment 10.25 ± 1.08 D
Volume 740.71 Å 3
Surface Area 548.7 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4s,5r)-n-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-n-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(6-keto-1-cyclohexa-2,4-dienylidene)-5-methyl-oxazolidine-4-carboxamide
  • (2z,4s,5r)-n-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-n-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-5-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,3-oxazolidine-4-carboxamide
  • (2z,4s,5r)-n-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-n-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-5-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)oxazolidine-4-carboxamide
  • (2z,4s,5r)-n-[4-[(2,3-dihydroxyphenyl)carbonylamino]butyl]-n-[3-[(2,3-dihydroxyphenyl)carbonylamino]propyl]-5-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,3-oxazolidine-4-carboxamide
  • (2z,4s,5r)-n-[4-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]butyl]-n-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]propyl]-5-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-oxazolidinecarboxamide
  • 4-oxazolecarboxamide, n-(4-((2,3-dihydroxybenzoyl)amino)butyl)-n-(3-((2,3-dihydroxybenzoyl)amino)propyl)-4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-, (4s-trans)-
  • ferric parabactin
  • parabactin
CAS Number(s)
  • 74149-70-5
InChIKey JSUANXYBLFQZGI-HDFWGNLJSA-N
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