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

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Properties Simple | Detailed

Formula C33H36N4O6
IUPAC Name 3-[5-[(e)-[(5z)-3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-yl)methylene]pyrrol-2-ylidene]methyl]-2-[(z)-[(3z,4r)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
Molecular Mass 584.662 g·mol−1
Heat of Formation -700.6 ± 16.7 kJ·mol−1
Dipole Moment 8.97 ± 1.08 D
Volume 719.22 Å 3
Surface Area 574.97 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 21h-biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2r,3e)-
  • 3-[5-[(e)-[(5z)-3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2-pyrrolyl)methylene]-2-pyrrolylidene]methyl]-2-[(z)-[(3z,4r)-3-ethylidene-4-methyl-5-oxo-2-pyrrolidinylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[5-[(e)-[(5z)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-yl)methylidene]-4-methyl-pyrrol-2-ylidene]methyl]-2-[(z)-[(3z,4r)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[5-[(e)-[(5z)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-2-[(z)-[(3z,4r)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[5-[(e)-[(5z)-3-(2-carboxyethyl)-5-[(5-keto-3-methyl-4-vinyl-pyrrol-2-yl)methylene]-4-methyl-3-pyrrolin-2-ylidene]methyl]-2-[(z)-[(3z,4r)-3-ethylidene-5-keto-4-methyl-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propionic acid
  • phytochromobilin
CAS Number(s)
  • 143392-71-6
InChIKey BJHKOBMQJMHRHS-SBEGJXMUSA-N
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