Tert-Butyl N-[(1S)-2-[[(1S)-2-[[(2S)-2-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)Amino]-3-Phenyl-Propanoyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamate

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Formula C28H34N6O7++
IUPAC Name tert-butyl n-[(1s)-2-[[(1s)-2-[[(2s)-2-[(1,4-dioxophthalazine-2,3-diium-6-yl)amino]-3-phenyl-propanoyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate
Molecular Mass 566.606 g·mol−1
Heat of Formation -1088.8 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 677.64 Å 3
Surface Area 538.7 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
InChIKey KSRLQUWZZNHGIJ-QYWGDWMGSA-N
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