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

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Properties Simple | Detailed

Formula C32H36N4O10
IUPAC Name (2z,4s,5r)-n-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-n-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-methyl-oxazolidine-4-carboxamide
Molecular Mass 636.649 g·mol−1
Heat of Formation -1504.7 ± 16.7 kJ·mol−1
Dipole Moment 10.60 ± 1.08 D
Volume 750.27 Å 3
Surface Area 558.01 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4s,5r)-n-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-n-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(5-hydroxy-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]-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-1,3-oxazolidine-4-carboxamide
  • (2z,4s,5r)-n-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-n-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-oxazolidine-4-carboxamide
  • (2z,4s,5r)-n-[4-[(2,3-dihydroxyphenyl)carbonylamino]butyl]-n-[3-[(2,3-dihydroxyphenyl)carbonylamino]propyl]-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-1,3-oxazolidine-4-carboxamide
  • (2z,4s,5r)-n-[4-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]butyl]-n-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]propyl]-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-4-oxazolidinecarboxamide
  • 4-oxazolecarboxamide, n-(4-((2,3-dihydroxybenzoyl)amino)butyl)-n-(3-((2,3-dihydroxybenzoyl)amino)propyl)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-, (4s-trans)-
  • agrobactin
  • ferriagrobactin
  • n-(3-(2,3-dihydroxybenzamido)propyl)-n-(4-(2,3- dihydroxybenzamido)butyl)-2-(2,3-dihydroxyphenyl)- trans-5-methyl-oxazoline-4-carboxamide
CAS Number(s)
  • 70393-50-9
InChIKey YRBKXELXUWRRIQ-WMFIGQAUSA-N
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