N-[4-(4-Carbamimidoylphenoxy)Butanoyl]-L-α-Aspartyl-L-Valine

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Properties Simple | Detailed

Formula C20H28N4O7
IUPAC Name (2s)-2-[[(2s)-2-[4-(4-carbamimidoylphenoxy)butanoylamino]-3-carboxy-propanoyl]amino]-3-methyl-butanoic acid
Molecular Mass 436.459 g·mol−1
Heat of Formation -1242.4 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 544.11 Å 3
Surface Area 409.16 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • ((4-(4-amidinophenoxy)butanoyl)aspartyl)valine
  • (2s)-2-[[(2s)-2-[4-(4-amidinophenoxy)butanoylamino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butyric acid
  • (2s)-2-[[(2s)-2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid
  • (2s)-2-[[(2s)-2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid
  • (2s)-2-[[(2s)-2-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylbutanoic acid
  • fk 633
  • fk-633
  • fr-144633
CAS Number(s)
  • 147865-49-4
InChIKey JFCXCBBSUORTNS-YOEHRIQHSA-N
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