N-Retinoyl-Dl-Phenylalanine

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Properties Simple | Detailed

Formula C29H34NO3
IUPAC Name carbon dioxide; (e)-[4-[(1e,3e,5e)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]furan-1-ium-2-yl]-(2-phenylethylidene)ammonium
Molecular Mass 444.585 g·mol−1
Heat of Formation -442.4 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 600.73 Å 3
Surface Area 494.39 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2e,4e,6e,8e)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-3-phenylpropanoic acid
  • (2s)-2-[[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoyl]amino]-3-phenyl-propanoic acid
  • (2s)-2-[[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoyl]amino]-3-phenyl-propionic acid
  • (2s)-2-[[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoyl]amino]-3-phenylpropanoic acid
InChIKey KQFROUCLXDASFA-UFZRFNMKSA-N
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