N-[(Dihydroxyboryl)Methyl]-Nalpha-[(4-Ethyl-2,3-Dioxo-1-Piperazinyl)Carbonyl]-D-Tyrosinamide

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Formula C17H23BN4O7
IUPAC Name [[(2r)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]methylboronic acid
Molecular Mass 406.198 g·mol−1
Heat of Formation -1446.7 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 473.51 Å 3
Surface Area 376.71 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey INXKLMQPFNYGIK-CYBMUJFWSA-N
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