N~5~-(Diaminomethylene)-N~2~-(2,3-Dihydroxybenzoyl)-L-Ornithyl-L-Threonine

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Properties Simple | Detailed

Formula C17H25N5O7
IUPAC Name (2s,3r)-2-[[(2s)-2-[(2,3-dihydroxybenzoyl)amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoic acid
Molecular Mass 411.410 g·mol−1
Heat of Formation -1225.6 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 481.54 Å 3
Surface Area 415.65 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-2-[[(2s)-2-[(2,3-dihydroxybenzoyl)amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoic acid
  • (2s,3r)-2-[[(2s)-2-[(2,3-dihydroxybenzoyl)amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butyric acid
  • (2s,3r)-2-[[(2s)-2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-5-guanidino-1-oxopentyl]amino]-3-hydroxybutanoic acid
  • (2s,3r)-2-[[(2s)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxybutanoic acid
  • (2s,3r)-2-[[(2s)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxyphenyl)carbonylamino]pentanoyl]amino]-3-hydroxy-butanoic acid
  • benarthin
  • l-threonine, n-(n(sup 2)-(2,3-dihydroxybenzoyl)-l-arginyl)-
  • l-threonine, n-(n2-(2,3-dihydroxybenzoyl)-l-arginyl)-
  • n-(n(sup 2)-(2,3-dihydroxybenzoyl)-l-arginyl)-l-threonine
CAS Number(s)
  • 143651-45-0
InChIKey RYFDAFYFFUVLNW-QRTLGDNMSA-N
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