Methyl N-{4-[(Diaminomethylene)Amino]Butanoyl}-L-Phenylalanyl-L-Allothreonyl-L-Phenylalaninate

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Formula C28H38N6O6
IUPAC Name methyl (2s)-2-[[(2s,3s)-2-[[(2s)-2-(4-guanidinobutanoylamino)-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoate
Molecular Mass 554.638 g·mol−1
Heat of Formation -962.2 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 698.47 Å 3
Surface Area 562.6 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
InChIKey QKSIUCFYHKTUCL-CKLTXHEASA-N
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