N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-Oxiranyl]Carbonyl}-L-Isoleucyl-L-Alanine

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Properties Simple | Detailed

Formula C15H24N2O7
IUPAC Name (2s)-2-[[(2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methyl-pentanoyl]amino]propanoic acid
Molecular Mass 344.360 g·mol−1
Heat of Formation -1245.9 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 420.87 Å 3
Surface Area 372.1 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy 3.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,3s)-2-[[(2s,3s)-3-carbethoxyoxirane-2-carbonyl]amino]-3-methyl-pentanoyl]amino]propionic acid
  • (2s)-2-[[(2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxiran-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]propanoic acid
  • (2s)-2-[[(2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methyl-pentanoyl]amino]propanoic acid
  • (2s)-2-[[(2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoic acid
  • (2s)-2-[[(2s,3s)-2-[[[(2s,3s)-3-ethoxycarbonyl-2-oxiranyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]propanoic acid
InChIKey FCCIQOJEDMDETP-QHZLYTNSSA-N
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