(2R)-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 (2r)-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 -376.9 ± 16.7 kJ·mol−1
Dipole Moment 10.42 ± 1.08 D
Volume 567.77 Å 3
Surface Area 400.54 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
InChIKey PADLCMMLIVJOBS-FUHWJXTLSA-N
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