5-Oxo-L-Prolyl-L-Glutaminyl-L-Alanine

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Properties Simple | Detailed

Formula C13H20N4O6
IUPAC Name (2s)-2-[[(2s)-5-amino-5-oxo-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid
Molecular Mass 328.321 g·mol−1
Heat of Formation -1180.7 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 388.87 Å 3
Surface Area 345.93 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-5-amino-1,5-dioxo-2-[[oxo-[(2s)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]amino]propanoic acid
  • (2s)-2-[[(2s)-5-amino-5-keto-2-(pyroglutamoylamino)pentanoyl]amino]propionic acid
  • (2s)-2-[[(2s)-5-amino-5-oxo-2-[[(2s)-5-oxopyrrolidin-2-yl]carbonylamino]pentanoyl]amino]propanoic acid
  • (2s)-2-[[(2s)-5-amino-5-oxo-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid
InChIKey VIPNGHPLCAMVEB-FXQIFTODSA-N
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