3-[2-[(E)-[(5E)-3-(2-Carboxyethyl)-4-Methyl-5-[(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Yl)Methylene]Pyrrol-2-Ylidene]Methyl]-4-Methyl-5-[(E)-(4-Methyl-5-Oxo-3-Vinyl-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid

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Properties Simple | Detailed

Formula C33H34N4O6
IUPAC Name carbon dioxide; 3-[[2-[[3-ethynyl-4-methyl-5-(2-nitrosoallyl)pyrrol-1-ium-2-ylidene]methylene]-5-(2-isocyanato-3-methylene-cyclopropen-1-yl)-4-methylene-pyrrol-1-ium-3-ylidene]methylene]oxiran-2-one
Molecular Mass 582.646 g·mol−1
Heat of Formation -525.0 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 713.47 Å 3
Surface Area 555.88 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 21h-biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-biliverdin
  • 3-[2-[(e)-[(5e)-3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2-pyrrolyl)methylene]-2-pyrrolylidene]methyl]-4-methyl-5-[(e)-(4-methyl-5-oxo-3-vinyl-2-pyrrolylidene)methyl]-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(e)-[(5e)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-yl)methylidene]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(e)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(e)-[(5e)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-5-[(e)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(e)-[(5e)-3-(2-carboxyethyl)-5-[(5-keto-3-methyl-4-vinyl-pyrrol-2-yl)methylene]-4-methyl-3-pyrrolin-2-ylidene]methyl]-5-[(e)-(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propionic acid
  • biliverdin ixa
  • bv
  • protobiliverdin ixa
InChIKey RCNSAJSGRJSBKK-DSGIURRASA-N
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