Formula |
C33H42N4O6 |
IUPAC Name |
3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid |
Molecular Mass |
590.710 g·mol−1 |
Heat of Formation |
-1021.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.96 ± 1.08 D |
Volume |
753.52 Å 3 |
Surface Area |
562.71 Å 2 |
HOMO Energy |
-8.36 ± 0.55 eV |
LUMO Energy |
-1.55 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-2-pyrrolylidene]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
- 3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
- 3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methylpyrrol-2-ylidene]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
- 3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-5-keto-3-methyl-3-pyrrolin-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2s)-3-ethyl-5-keto-4-methyl-3-pyrrolin-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propionic acid
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InChIKey |
KDCCOOGTVSRCHX-YYVBKQGDSA-N |
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Elements |
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