L-Threonyl-L-Asparaginyl-L-Valyl-L-Valine

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Properties Simple | Detailed

Formula C18H33N5O7
IUPAC Name (2s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s,3r)-2-amino-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid
Molecular Mass 431.484 g·mol−1
Heat of Formation -1516.3 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 542.77 Å 3
Surface Area 436.07 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s,3r)-2-amino-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid
  • (2s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s,3r)-2-amino-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid
  • (2s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s,3r)-2-amino-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid
  • (2s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s,3r)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
  • eglin c (60-63)
  • l-valine, n-(n-(n2-l-threonyl-l-asparaginyl)-l-valyl)-
  • thr-asn-val-val-oh
CAS Number(s)
  • 122299-14-3
InChIKey KAMOTFUFDACEHJ-ZZEGJQGJSA-N
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