3-[2-[(Z)-[(5Z)-3-(2-Carboxyethyl)-5-[[(3Z,4R)-3-Ethylidene-4-Methyl-5-Oxo-Pyrrol-2-Yl]Methylene]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-4-Methyl-5-[[(2R)-3-Methyl-5-Oxo-4-Vinyl-1,2-Dihydropyrrol-2-Yl]Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid

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Formula C33H40N4O6
IUPAC Name 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[[(2r)-3-methyl-5-oxo-4-vinyl-1,2-dihydropyrrol-2-yl]methyl]pyrrol-2-yl]methyl]-5-[[(3z,4r)-3-ethylidene-4-methyl-5-oxo-pyrrol-1-ium-2-yl]methyl]-4-methyl-pyrrol-1-ium-3-id-3-yl]propanoic acid
Molecular Mass 588.694 g·mol−1
Heat of Formation -774.0 ± 16.7 kJ·mol−1
Dipole Moment 8.32 ± 1.08 D
Volume 740.1 Å 3
Surface Area 527.27 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
InChIKey GLWKVDXAQHCAIO-FZBYUHNNSA-N
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