5-{[{[(1S)-2-(Butylamino)-2-Oxo-1-Phenylethyl]Carbamoyl}(Methyl)Amino]Methyl}-1,3-Benzodioxole-4-Carboxylic Acid

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Formula C23H27N3O6
IUPAC Name 5-[[[(1s)-2-(butylamino)-2-oxo-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
Molecular Mass 441.477 g·mol−1
Heat of Formation -881.7 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 524.07 Å 3
Surface Area 426.0 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey LNHFUNPGWROCBL-IBGZPJMESA-N
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