2-[[(2S)-2,6-Bis[[(2S)-2,6-Bis[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Hexanoyl]Amino]Hexanoyl]Amino]Acetic Acid

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Formula C96H153N31O25
IUPAC Name 2-[[(2s)-2,6-bis[[(2s)-2,6-bis[[(2r)-2-[[(2r,3r)-2-[[(2r)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid
Molecular Mass 2141.435 g·mol−1
Heat of Formation -4528.5 ± 16.7 kJ·mol−1
Dipole Moment 10.42 ± 1.08 D
Volume 2616.76 Å 3
Surface Area 2094.57 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
InChIKey GFRBISAVUSZQEP-GABXEQJVSA-N
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