(2E)-3-(4-{[(1-{[(13-Cyclohexyl-6-Oxo-6,7-Dihydro-5H-Indolo[1,2-D][1,4]Benzodiazepin-10-Yl)Carbonyl]Amino}Cyclopentyl)Carbonyl]Amino}Phenyl)Acrylic Acid

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Formula C38H38N4O5
IUPAC Name (e)-3-[4-[[1-[(13-cyclohexyl-6-oxo-7,9-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-8-ium-9-ide-10-carbonyl)amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid
Molecular Mass 630.732 g·mol−1
Heat of Formation -573.1 ± 16.7 kJ·mol−1
Dipole Moment 10.22 ± 1.08 D
Volume 745.07 Å 3
Surface Area 616.07 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey HDBNVTWMHMMKNY-XMHGGMMESA-N
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