2-[N-(1-Carboxylato-3-Phenylpropyl)Alanyl]-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylate

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Formula C23H26N2O5
IUPAC Name (3s)-2-[(2r)-2-[[(1r)-1-carboxy-3-phenyl-propyl]amino]propanoyl]-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
Molecular Mass 410.463 g·mol−1
Heat of Formation -795.3 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 496.63 Å 3
Surface Area 375.25 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
InChIKey FLSLEGPOVLMJMN-YSGRDPCXSA-N
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