Methyl N~5~-(Diaminomethylene)-L-Ornithyl-1-[(2-Nitrophenyl)Sulfanyl]-L-Tryptophanate

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Formula C24H29N7O5S
IUPAC Name methyl (2s)-2-[[(2s)-2-amino-5-guanidino-pentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-1-ium-3-yl]propanoate
Molecular Mass 527.596 g·mol−1
Heat of Formation -232.7 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 628.52 Å 3
Surface Area 461.05 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
InChIKey GQZQAJBNKMLYQV-ZWKOTPCHSA-N
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