N-((6-Methyl-5-Oxo-3-Thiomorpholinyl)Carbonyl)-L-Histidyl-L-Proline

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Properties Simple | Detailed

Formula C17H23N5O5S
IUPAC Name (2s)-1-[(2s)-3-(1h-imidazol-4-yl)-2-[[(3r,6s)-6-methyl-5-oxo-thiomorpholine-3-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 409.460 g·mol−1
Heat of Formation -792.6 ± 16.7 kJ·mol−1
Dipole Moment 7.45 ± 1.08 D
Volume 478.33 Å 3
Surface Area 376.81 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
InChIKey BWBSSERHKZVUKK-ZBAXXZLZSA-N
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