N-(4-{[({(2R)-3-[(3R)-3-Amino-4-(2,4,5-Trifluorophenyl)Butanoyl]-1,3-Thiazolidin-2-Yl}Carbonyl)Amino]Methyl}Phenyl)-D-Valine

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Properties Simple | Detailed

Formula C26H31F3N4O4S
IUPAC Name (2r)-2-[4-[[[(2r)-3-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]amino]methyl]anilino]-3-methyl-butanoic acid
Molecular Mass 552.609 g·mol−1
Heat of Formation -1175.5 ± 16.7 kJ·mol−1
Dipole Moment 10.51 ± 1.08 D
Volume 644.82 Å 3
Surface Area 523.08 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey ZUNWVBNRQTWJFD-WQWSHVPRSA-N
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