N-{(2R)-2-Amino-2-[Methyl(2-Phenylethyl)Amino]Acetyl}-N-[4-(Methylsulfinyl)Butanoyl]-L-Tyrosinamide

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Formula C25H34N4O5S
IUPAC Name n-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-n-[(2r)-2-amino-2-[methyl(2-phenylethyl)amino]acetyl]-4-[(r)-methylsulfinyl]butanamide
Molecular Mass 502.626 g·mol−1
Heat of Formation -680.4 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 619.91 Å 3
Surface Area 509.02 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
InChIKey VZHJHDJYSCFOFP-LUQMGZBRSA-N
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