N-[3-(3-Phenyl-1,2-Oxazol-5-Yl)Propanoyl]-L-α-Glutamyl-L-α-Glutamine

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Properties Simple | Detailed

Formula C22H26N4O8
IUPAC Name (4s)-5-amino-4-[[(2s)-4-carboxy-2-[3-(3-phenylisoxazol-5-yl)propanoylamino]butanoyl]amino]-5-oxo-pentanoic acid
Molecular Mass 474.464 g·mol−1
Heat of Formation -1242.8 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 551.63 Å 3
Surface Area 493.5 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey LIIRZRQVACDFBI-HOTGVXAUSA-N
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