N-(2,3-Dihydroxybenzoyl)-L-Threonyl-N~5~-Acetyl-N~5~-Hydroxy-L-Ornithine

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Properties Simple | Detailed

Formula C18H25N3O9
IUPAC Name (2s)-5-[acetyl(hydroxy)amino]-2-[[(2s,3r)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxy-butanoyl]amino]pentanoic acid
Molecular Mass 427.406 g·mol−1
Heat of Formation -1503.5 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 488.7 Å 3
Surface Area 419.51 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,3r)-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-hydroxy-butanoyl]amino]-5-(ethanoyl-hydroxy-amino)pentanoic acid
  • (2s)-5-(acetyl-hydroxy-amino)-2-[[(2s,3r)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxy-butanoyl]amino]pentanoic acid
  • (2s)-5-(acetyl-hydroxy-amino)-2-[[(2s,3r)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxy-butanoyl]amino]valeric acid
  • (2s)-5-(acetyl-hydroxyamino)-2-[[(2s,3r)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxybutanoyl]amino]pentanoic acid
  • (2s)-5-(acetyl-hydroxyamino)-2-[[(2s,3r)-2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]pentanoic acid
  • antibiotic mg 245cf2a
  • l-ornithine, n(sup 5)-acetyl-n(sup 2)-(n-(2,3-dihydroxybenzoyl)-l-threonyl)-n(sup 5)-hydroxy-
  • l-ornithine, n5-acetyl-n2-(n-(2,3-dihydroxybenzoyl)-l-threonyl)-n5-hydroxy-
  • mg-245-cf2-a
  • n(sup 5)-acetyl-n(sup 2)-(n-(2,3-dihydroxybenzoyl)-l-threonyl)-n(sup 5)-hydroxy-l-ornithine
  • vanoxonin
CAS Number(s)
  • 86933-99-5
InChIKey KCWDMHXDGAWLOA-LQJRIPTKSA-N
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