9-Amino-12-(2-Amino-2-Oxoethyl)-4-Hydroxy-10,13-Dioxo-2-Oxa-11,14-Diazatricyclo[15.2.2.1~3,7~]Docosa-1(19),3(22),4,6,17,20-Hexaene-15-Carboxylic Acid

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Formula C22H24N4O7
IUPAC Name (9r,12r,15r)-9-amino-12-(2-amino-2-oxo-ethyl)-4-hydroxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaene-15-carboxylic acid
Molecular Mass 456.449 g·mol−1
Heat of Formation -1098.7 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 525.71 Å 3
Surface Area 400.58 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
InChIKey NCUQHNVGWPTBRI-BZUAXINKSA-N
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