3-[2-[(Z)-[(5Z)-3-(2-Carboxyethyl)-4-Methyl-5-[(4-Methyl-5-Oxo-3-Vinyl-Pyrrol-2-Yl)Methylene]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 C33H36N4O6
IUPAC Name 3-[2-[(z)-[(5z)-3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-yl)methylene]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 584.662 g·mol−1
Heat of Formation -674.7 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 728.48 Å 3
Surface Area 549.54 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.82 ± eV
Point Group Symmetry C1
Synonyms
  • 15,16-dihydrobiliverdin
  • 15,16-dihydrobiliverdin ixalpha
  • 3-[2-[(z)-[(5z)-3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-2-pyrrolyl)methylene]-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)-[(5z)-3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-pyrrol-2-yl)methylidene]-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)-[(5z)-3-(2-carboxyethyl)-5-[(5-keto-4-methyl-3-vinyl-pyrrol-2-yl)methylene]-4-methyl-3-pyrrolin-2-ylidene]methyl]-5-[[(2r)-5-keto-3-methyl-4-vinyl-3-pyrrolin-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propionic acid
  • 8,12-bis(2-carboxyethyl)-3,18-ethenyl-2,7,13,17-tetramethyl-15,16-dihydrobilin-1,19(21h,24h)-dione
CAS Number(s)
  • 137429-14-2
InChIKey CGSPNIOREWHDGG-VDBYBEJGSA-N
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