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

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Properties Simple | Detailed

Formula C12H19NO6
IUPAC Name (2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methyl-pentanoic acid
Molecular Mass 273.282 g·mol−1
Heat of Formation -1035.4 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 329.94 Å 3
Surface Area 303.59 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 3.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-[[(2s,3s)-3-carbethoxyoxirane-2-carbonyl]amino]-3-methyl-valeric acid
  • (2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxiran-2-yl]carbonylamino]-3-methyl-pentanoic acid
  • (2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methyl-pentanoic acid
  • (2s,3s)-2-[[[(2s,3s)-3-ethoxycarbonyl-2-oxiranyl]-oxomethyl]amino]-3-methylpentanoic acid
InChIKey MZJYLQZZISBOTF-JBDRJPRFSA-N
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