2-({[3-(2-Amino-4,5-Dihydro-1H-Imidazol-5-Yl)-1-({4-[(3,5-Diamino-6-Methyltetrahydro-2H-Pyran-2-Yl)Oxy]-2,3,5,6-Tetrahydroxycyclohexyl}Amino)-1-Oxo-2-Propanyl]Carbamoyl}Amino)-4-Methylpentanoic Acid (Non-Preferred Name)

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Formula C25H46N8O10
IUPAC Name (2s)-2-[[(1s)-1-[[(5r)-2-amino-4,5-dihydro-1h-imidazol-5-yl]methyl]-2-[[(2s,3s,5r,6s)-4-[(2r,3s,5s,6r)-3,5-diamino-6-methyl-tetrahydropyran-2-yl]oxy-2,3,5,6-tetrahydroxy-cyclohexyl]amino]-2-oxo-ethyl]carbamoylamino]-4-methyl-pentanoic acid
Molecular Mass 618.680 g·mol−1
Heat of Formation -1949.8 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 737.57 Å 3
Surface Area 583.49 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
InChIKey UDZJEGDQBWDMOF-GIPZDMFQSA-N
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