3-(2-{[3-(2-Carboxyethyl)-3A,6-Dimethyl-7-Oxo-3A,4,6,7-Tetrahydro-1H-Pyrrolo[3',2':5,6]Cyclohepta[1,2-B]Pyrrol-2-Yl]Methyl}-4-Methyl-5-[(E)-(3-Methyl-5-Oxo-4-Vinyl-1,5-Dihydro-2H-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-3-Yl)Propanoic Acid

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Formula C33H36N4O6
IUPAC Name 3-(2-{[3-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-3a,4,6,7-tetrahydro-1h-pyrrolo[3',2':5,6]cyclohepta[1,2-b]pyrrol-2-yl]methyl}-4-methyl-5-[(e)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2h-pyrrol-2-ylidene)methyl]-1h-pyrrol-3-yl)propanoic acid
Molecular Mass 584.662 g·mol−1
Heat of Formation -747.1 ± 16.7 kJ·mol−1
Dipole Moment 8.11 ± 1.08 D
Volume 705.13 Å 3
Surface Area 522.72 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey YNYZRBOEYUCGSF-CMAYMEKHSA-N
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