Methyl (2S)-2-[[(2S,3R)-3,7-Diamino-2-Hydroxy-Heptanoyl]Amino]-3-[1-(2-Nitrophenyl)Sulfanyl-4H-Indol-1-Ium-4-Id-3-Yl]Propanoate

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Properties Simple | Detailed

Formula C25H31N5O6S
IUPAC Name methyl (2s)-2-[[(2s,3r)-3,7-diamino-2-hydroxy-heptanoyl]amino]-3-[1-(2-nitrophenyl)sulfanyl-4h-indol-1-ium-4-id-3-yl]propanoate
Molecular Mass 529.609 g·mol−1
Heat of Formation -498.7 ± 16.7 kJ·mol−1
Dipole Moment 8.25 ± 1.08 D
Volume 640.29 Å 3
Surface Area 481.92 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
InChIKey PQDFKSUZBHRBMJ-MSYCTHLASA-N
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