N~5~-(Diaminomethylene)-L-Ornithyl-α-[3-(2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-1-Yl)Propanoyl]-N-Iodo-L-Tyrosine

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Properties Simple | Detailed

Formula C22H27IN6O7
IUPAC Name (2r)-2-[[(2s)-2-amino-5-guanidino-pentanoyl]-iodo-amino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxo-pentanoic acid
Molecular Mass 614.390 g·mol−1
Heat of Formation -857.5 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 605.42 Å 3
Surface Area 478.0 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2s)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodo-amino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxo-pentanoic acid
  • (2r)-2-[[(2s)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid
  • (2r)-2-[[(2s)-2-amino-5-guanidino-1-oxopentyl]-iodoamino]-5-(2,5-dioxo-1-pyrrolyl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid
  • (2r)-2-[[(2s)-2-amino-5-guanidino-pentanoyl]-iodo-amino]-2-(4-hydroxybenzyl)-3-keto-5-maleimido-valeric acid
  • (2r)-2-[[(2s)-2-amino-5-guanidino-pentanoyl]-iodo-amino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxo-pentanoic acid
  • 3-maleimidopropionyl-arg-i-tyr
  • 3-maleimidopropionylarginylmonoiodotyrosine
  • 3-mpait
CAS Number(s)
  • 138191-82-9
InChIKey AFNHYMBYOPDLFG-OYHNWAKOSA-N
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