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

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Properties Simple | Detailed

Formula C28H14N4O6
IUPAC Name 5-[[5-[[5-buta-1,3-diynyl-4-methyl-1-nitroso-3-[(3-oxooxiran-2-ylidene)methylene]pyrrol-2-ylidene]methylene]-4-ethynyl-3-methyl-pyrrol-1-ium-2-yl]methyl]-3,4-dimethylene-pyrrol-1-ium-2-one; carbon dioxide
Molecular Mass 502.434 g·mol−1
Heat of Formation -824.5 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 729.77 Å 3
Surface Area 550.55 Å 2
HOMO Energy -7.84 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 21h-biline-8,12-dipropanoic acid, 3,18-diethyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-
  • 3-[2-[(z)-[(5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-2-pyrrolyl)methylene]-4-methyl-2-pyrrolylidene]methyl]-5-[(z)-(3-ethyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[(5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-2-yl)methylidene]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[(5z)-3-(2-carboxyethyl)-5-[(4-ethyl-5-keto-3-methyl-pyrrol-2-yl)methylene]-4-methyl-3-pyrrolin-2-ylidene]methyl]-5-[(z)-(3-ethyl-5-keto-4-methyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propionic acid
  • mesobilivedin ix alpha
  • mesobiliverdin
  • mesobiliverdin ix
  • mesobiliverdin ix beta
CAS Number(s)
  • 493-88-9
InChIKey CXSWQQWXIGDYEY-NSQVQWHSSA-N
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