N-(4-Carboxybenzoyl)-L-Valyl-N-[(3S)-1,1,1-Trifluoro-4-Methyl-2-Oxo-3-Pentanyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C24H30F3N3O6
IUPAC Name 4-[[(1s)-2-methyl-1-[(2s)-2-[[(1s)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]carbamoyl]pyrrolidine-1-carbonyl]propyl]carbamoyl]benzoic acid
Molecular Mass 513.507 g·mol−1
Heat of Formation -1762.8 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 599.97 Å 3
Surface Area 475.18 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey FGNPKLCZJAUKFU-BZSNNMDCSA-N
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