[(2R)-3-[[(1S)-1-[(2S,3Ar,5S,6S,7As)-2-[2-[1-[Amino(Azaniumylidene)Methyl]-2,5-Dihydropyrrol-3-Yl]Ethylcarbamoyl]-5,6-Dihydroxy-2,3,3A,4,5,6,7,7A-Octahydroindole-1-Carbonyl]-2-Methyl-Propyl]Amino]-2-Methoxy-3-Oxo-Propyl] Sulfate

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Formula C25H43N6O10S
IUPAC Name [(2r)-3-[[(1s)-1-[(2s,3ar,5s,6s,7as)-2-[2-[1-[amino(azaniumylidene)methyl]-2,5-dihydropyrrol-3-yl]ethylcarbamoyl]-5,6-dihydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-2-methyl-propyl]amino]-2-methoxy-3-oxo-propyl] sulfate
Molecular Mass 619.708 g·mol−1
Heat of Formation -1765.8 ± 16.7 kJ·mol−1
Dipole Moment 30.06 ± 1.08 D
Volume 703.66 Å 3
Surface Area 471.02 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey KTZJQQQRELKUFY-XYIAWKELSA-N
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