(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-[2-(2-Nitrophenyl)Sulfanylindol-1-Ium-2-Ylium-3-Yl]Propanoic Acid

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Formula C23H27N5O5S
IUPAC Name (2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-[2-(2-nitrophenyl)sulfanylindol-1-ium-2-ylium-3-yl]propanoic acid
Molecular Mass 485.556 g·mol−1
Heat of Formation -356.8 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 570.74 Å 3
Surface Area 451.01 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
InChIKey PADLCMMLIVJOBS-WMZOPIPTSA-N
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