N-[5-(2,3-Dihydro-1-Benzofuran-2-Yl)-1-Ethoxy-1-Oxo-2-Pentanyl]Alanylproline

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Properties Simple | Detailed

Formula C23H32N2O6
IUPAC Name (2s)-1-[(2s)-2-[[(1s)-4-[(2s)-2,3-dihydrobenzofuran-2-yl]-1-ethoxycarbonyl-butyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 432.510 g·mol−1
Heat of Formation -1090.9 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 542.57 Å 3
Surface Area 428.83 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
InChIKey HTBXOXWJOIKINE-WNHJNPCNSA-N
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