(2S)-2-[[(1S)-5-[[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3As,4S,6Ar)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-4-Yl]Pentanoylamino]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Propanoylamino]Ethoxy]-4-Bromo-Phenyl]Carbamoylamino]-1-Carboxy-Pentyl]Carbamoylamino]Pentanedioic Acid

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Properties Simple | Detailed

Formula C58H97BrN8O24S
IUPAC Name (2s)-2-[[(1s)-5-[[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-4-bromo-phenyl]carbamoylamino]-1-carboxy-pentyl]carbamoylamino]pentanedioic acid
Molecular Mass 1402.399 g·mol−1
Heat of Formation -4249.5 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 1618.42 Å 3
Surface Area 1463.34 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey GEHJWUZNJRAVQB-HJXABITDSA-N
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Elements C H O N S Br