N-{[(1S)-1-Carboxy-5-({[2-({4,44-Dioxo-48-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]-7,10,13,16,19,22,25,28,31,34,37,40-Dodecaoxa-3,43-Diazaoctatetracont-1-Yl}Oxy)Phenyl]Carbamoyl}Ami No)Pentyl]Carbamoyl}-L-Glutamic Acid

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Formula C58H98N8O24S
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]phenyl]carbamoylamino]-1-carboxy-pentyl]carbamoylamino]pentanedioic acid
Molecular Mass 1323.503 g·mol−1
Heat of Formation -4343.1 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 1583.28 Å 3
Surface Area 1397.13 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
InChIKey XRZNULQNCHFEIW-HJXABITDSA-N
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