N~5~-(Diaminomethylene)-L-Ornithyl-N-Iodo-α-Propionyl-3-(2-Pyridinyldisulfanyl)-L-Tyrosine

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Properties Simple | Detailed

Formula C23H30IN6O5S2
IUPAC Name (2r)-2-[[(2s)-2-amino-5-guanidino-pentanoyl]-iodo-amino]-2-[[4-hydroxy-3-(3h-pyridin-1-ium-3-id-6-yldisulfanyl)phenyl]methyl]-3-oxo-pentanoic acid
Molecular Mass 661.556 g·mol−1
Heat of Formation -540.3 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 651.96 Å 3
Surface Area 513.28 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2s)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodo-amino]-2-[(4-hydroxy-3-pyridin-2-yldisulfanyl-phenyl)methyl]-3-oxo-pentanoic acid
  • (2r)-2-[[(2s)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-2-[(4-hydroxy-3-pyridin-2-yldisulfanylphenyl)methyl]-3-oxopentanoic acid
  • (2r)-2-[[(2s)-2-amino-5-guanidino-1-oxopentyl]-iodoamino]-2-[[4-hydroxy-3-(2-pyridyldisulfanyl)phenyl]methyl]-3-oxopentanoic acid
  • (2r)-2-[[(2s)-2-amino-5-guanidino-pentanoyl]-iodo-amino]-2-[4-hydroxy-3-(2-pyridyldisulfanyl)benzyl]-3-keto-valeric acid
  • (2r)-2-[[(2s)-2-amino-5-guanidino-pentanoyl]-iodo-amino]-2-[[4-hydroxy-3-(2-pyridyldisulfanyl)phenyl]methyl]-3-oxo-pentanoic acid
  • 3-(2-pyridyldithio)propionyl-arg-i-tyr
  • 3-(2-pyridyldithio)propionylarginylmonoiodotyrosine
  • 3-ptpait
CAS Number(s)
  • 138191-81-8
InChIKey FMSYFOODEYUCOD-NPMXOYFQSA-N
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