Methyl N-[(2S,3R)-3-Amino-2-Hydroxy-3-(4-Methylphenyl)Propanoyl]-L-Alanyl-D-Leucinate

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Properties Simple | Detailed

Formula C20H31N3O5
IUPAC Name methyl (2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-(p-tolyl)propanoyl]amino]propanoyl]amino]-4-methyl-pentanoate
Molecular Mass 393.477 g·mol−1
Heat of Formation -959.8 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 500.86 Å 3
Surface Area 432.22 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-(4-methylphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester
  • (2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]amino]propanoyl]amino]-4-methyl-valeric acid methyl ester
  • 2-[2-(3-amino-2-hydroxy-3-p-tolyl-propionylamino)-propionylamino]-4-methyl-pentanoic acid methyl ester
  • methyl (2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]amino]propanoyl]amino]-4-methylpentanoate
  • u15
InChIKey BMHZOSJVDHAFEE-SVGFKBNWSA-N
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