Methyl (2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-[1-(2-Nitrophenyl)Sulfanyl-2H-Indol-1-Ium-2-Ylium-3-Yl]Propanoate

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Properties Simple | Detailed

Formula C24H29N7O5S
IUPAC Name methyl (2s)-2-[[(2s)-2-amino-5-guanidino-pentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanyl-2h-indol-1-ium-2-ylium-3-yl]propanoate
Molecular Mass 527.596 g·mol−1
Heat of Formation -241.7 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 620.19 Å 3
Surface Area 475.6 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
InChIKey UGGXSRAJXYAAIL-ROUUACIJSA-N
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