N-[(4S,5R)-4,5,7-Tricarboxyheptanoyl]-L-γ-Glutamyl-N-[2-(4-{[5-(Formamidomethyl)-3-Furyl]Methoxy}Phenyl)Ethyl]-L-Glutamine

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Properties Simple | Detailed

Formula C35H44N4O16
IUPAC Name (3s,4r)-7-[[(1s)-1-carboxy-4-[[(1r)-1-carboxy-4-[2-[4-[[5-(formamidomethyl)-3-furyl]methoxy]phenyl]ethylamino]-4-oxo-butyl]amino]-4-oxo-butyl]amino]-7-oxo-heptane-1,3,4-tricarboxylic acid
Molecular Mass 776.741 g·mol−1
Heat of Formation -2967.3 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 940.49 Å 3
Surface Area 677.34 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey RGBIJPWAWLXPOC-RAVGUYNFSA-N
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