3-[2-[(Z)-[(5E)-3-(2-Carboxyethyl)-5-[(4-Ethyl-3-Methyl-5-Oxo-Pyrrol-2-Yl)Methylene]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[(Z)-[(3E,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 C33H40N4O6
IUPAC Name 3-[2-[[3-(2-carboxylatoethyl)-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-1-ium-2-yl)methyl]-4-methyl-pyrrol-1-ium-2-ylium-2-yl]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-1-ium-5-ylium-3-yl]propanoate
Molecular Mass 588.694 g·mol−1
Heat of Formation -778.6 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 726.95 Å 3
Surface Area 605.48 Å 2
HOMO Energy -7.99 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 21h-biline-8,12-dipropanoic acid, 18-ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2r,3e)-
  • 3-[2-[(z)-[(5e)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-2-pyrrolyl)methylene]-4-methyl-2-pyrrolylidene]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-4-methyl-5-oxo-2-pyrrolidinylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[(5e)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-2-yl)methylidene]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[(5e)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[(5e)-3-(2-carboxyethyl)-5-[(4-ethyl-5-keto-3-methyl-pyrrol-2-yl)methylene]-4-methyl-3-pyrrolin-2-ylidene]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-5-keto-4-methyl-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propionic acid
  • phycobilin
CAS Number(s)
  • 16883-97-9
  • 18159-29-0
  • 20298-86-6
  • 32140-34-4
  • 86747-24-2
InChIKey NNMALANKTSRILL-LXENMSTPSA-N
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