3-{[1-({4-[(Diaminomethylene)Amino]Butyl}Amino)-3-(4-Hydroxyphenyl)-1-Oxo-2-Propanyl]Carbamoyl}-2-Oxiranecarboxylic Acid

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Formula C18H25N5O6
IUPAC Name (2s,3s)-3-[[(1r)-2-(4-guanidinobutylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid
Molecular Mass 407.421 g·mol−1
Heat of Formation -824.4 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 496.31 Å 3
Surface Area 431.78 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
InChIKey IVRMXEFFYRZNCU-RDBSUJKOSA-N
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