(3S)-2-[N-(2-Furoyl)-L-Leucyl]-2,3,4,9-Tetrahydro-1H-β-Carboline-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C23H25N3O5
IUPAC Name (3s)-2-[(2s)-2-(3h-furan-1-ium-3-ide-2-carbonylamino)-4-methyl-pentanoyl]-3,4-dihydro-1h-pyrido[3,4-b]indol-9-ium-3-carboxylic acid
Molecular Mass 423.462 g·mol−1
Heat of Formation -629.5 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 498.31 Å 3
Surface Area 403.47 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey DNEGAJMITFSILM-HKUYNNGSSA-N
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