3-[2-[(Z)-[3-(2-Carboxyethyl)-5-[(Z)-[(3R,4R)-3-Ethyl-4-Methyl-5-Oxo-Pyrrolidin-2-Ylidene]Methyl]-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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Properties Simple | Detailed

Formula C33H40N4O6
IUPAC Name 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-[(3r,4r)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-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
Molecular Mass 588.694 g·mol−1
Heat of Formation -945.7 ± 16.7 kJ·mol−1
Dipole Moment 10.15 ± 1.08 D
Volume 734.47 Å 3
Surface Area 589.24 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-[(3r,4r)-3-ethyl-4-methyl-5-oxo-2-pyrrolidinylidene]methyl]-4-methyl-2-pyrrolylidene]methyl]-4-methyl-5-[[(2r)-3-methyl-5-oxo-4-vinyl-1,2-dihydropyrrol-2-yl]methyl]-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-[(3r,4r)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2r)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-[(3r,4r)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methylpyrrol-2-ylidene]methyl]-5-[[(2r)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-[(3r,4r)-3-ethyl-5-keto-4-methyl-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2r)-5-keto-3-methyl-4-vinyl-3-pyrrolin-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propionic acid
  • phycoerythrobilin
InChIKey NKCBCVIFPXGHAV-WAVSMFBNSA-N
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