Methyl 1-(5-Oxoprolylhistidyl)-2-Piperidinecarboxylate

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Properties Simple | Detailed

Formula C18H25N5O5
IUPAC Name methyl (2s)-1-[(2s)-3-imidazol-3-ium-4-ylium-4-yl-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]piperidine-2-carboxylate
Molecular Mass 391.422 g·mol−1
Heat of Formation -796.4 ± 16.7 kJ·mol−1
Dipole Moment 9.35 ± 1.08 D
Volume 469.23 Å 3
Surface Area 388.21 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
InChIKey XBIMPEXPZJZUMP-IHRRRGAJSA-N
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