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

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Formula C17H26N2O7
IUPAC Name (2s)-1-[(2s,3s)-2-[[(2s,3r)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 370.398 g·mol−1
Heat of Formation -1230.3 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 450.92 Å 3
Surface Area 350.01 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
InChIKey RFNNDNGXWCBNGK-PJSNJIKXSA-N
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