N-[({(3S)-1-Chloro-6-[(Diaminomethylene)Amino]-2-Oxo-3-Hexanyl}Amino)Acetyl]-L-α-Glutamine

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Properties Simple | Detailed

Formula C14H25ClN6O5
IUPAC Name (4s)-4-amino-5-[[2-[[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]acetyl]amino]-5-oxo-pentanoic acid
Molecular Mass 392.839 g·mol−1
Heat of Formation -898.5 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 463.94 Å 3
Surface Area 423.88 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-amino-5-[2-[[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxo-hexan-3-yl]amino]ethanoylamino]-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[[2-[[(1s)-1-(2-chloro-1-oxoethyl)-4-guanidinobutyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid
  • (4s)-4-amino-5-[[2-[[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]acetyl]amino]-5-keto-valeric acid
  • (4s)-4-amino-5-[[2-[[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]acetyl]amino]-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[[2-[[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]acetyl]amino]-5-oxopentanoic acid
  • ggack
  • glu-gly-arg-chloromethane
  • glutamyl-glycyl-arginine chloromethyl ketone
  • glycinamide, l-alph-glutamyl-n-(4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)-, (s)-
CAS Number(s)
  • 65113-67-9
InChIKey XBPBJFWGYUJISD-IUCAKERBSA-N
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