Methyl N-{(4S,5S)-5-[(L-Alanyl-L-Alanyl)Amino]-4-Hydroxy-6-Phenylhexanoyl}-L-Valyl-L-Valinate

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Properties Simple | Detailed

Formula C29H47N5O7
IUPAC Name methyl (2s)-2-[[(2s)-2-[[(4s,5s)-5-[[(2s)-2-[[(2s)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
Molecular Mass 577.713 g·mol−1
Heat of Formation -1468.8 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 750.62 Å 3
Surface Area 598.23 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[[(4s,5s)-5-[[(2s)-2-(alanylamino)propanoyl]amino]-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid methyl ester
  • (2s)-2-[[(2s)-2-[[(4s,5s)-5-[[(2s)-2-[[(2s)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-4-hydroxy-1-oxo-6-phenylhexyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester
  • 2-(2-{5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester
  • 5-(ala-ala) val-val-ome deriv.
  • 5-(l-alanyl-l-alanylamino)-4-hydroxy-6-phenylhexanoic acid, methyl valyl-valyl amide
  • ala-ala-phe-psi((s)-choh-ch2)-gly-val-val-ome
  • ala-ala-phe.psi.[ch(oh)ch2]gly-val-val-och3
  • ala-ala-phepsi(ch(oh)ch2)gly-val-val-och3
  • c-terminal inhibitor 1
  • gli
  • hydroxyethylene isostere analog(aa-ii-vv-ome)
  • l-valine, l-alanyl-l-alanyl-(.gamma.s, .delta.s)-.delta.-amino-.gamma.-hydroxybenzenehexanoyl-l-valyl-, methyl ester
  • l-valine, l-alanyl-l-alanyl-(gammas, deltas)-delta-amino-gamma-hydroxybenzenehexanoyl-l-valyl-, methyl ester
  • methyl (2s)-2-[[(2s)-2-[[(4s,5s)-5-[[(2s)-2-[[(2s)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
  • methyl (2s)-2-[[(2s)-2-[[(4s,5s)-5-[[(2s)-2-[[(2s)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
  • psi
  • skf 107457
CAS Number(s)
  • 126333-28-6
InChIKey IUDCAKKZLXFOQA-QJAPXLAMSA-N
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