Methyl 6-{(3S,6S,9S,15Ar)-9-[(2S)-2-Butanyl]-6-[(1-Methoxy-1H-Indol-3-Yl)Methyl]-1,4,7,10-Tetraoxotetradecahydro-2H-Pyrido[1,2-A][1,4,7,10]Tetraazacyclododecin-3-Yl}Hexanoate

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Formula C33H47N5O7
IUPAC Name methyl 6-[(3s,6s,9s,12r)-6-[(1-methoxy-2h-indol-1-ium-2-ylium-3-yl)methyl]-3-[(1r)-1-methylpropyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoate
Molecular Mass 625.756 g·mol−1
Heat of Formation -1127.0 ± 16.7 kJ·mol−1
Dipole Moment 11.23 ± 1.08 D
Volume 780.74 Å 3
Surface Area 563.21 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey MGSMSINQVPOBFG-UHRIIFNFSA-N
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