Benzyl N-[(1R)-1-[(2S,4R)-2-[[(1S)-5-Amino-1-[(S)-1,3-Benzoxazol-2-Yl(Hydroxy)Methyl]Pentyl]Carbamoyl]-4-(P-Tolylmethoxy)Pyrrolidine-1-Carbonyl]-3-Phenyl-Propyl]Carbamate

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Properties Simple | Detailed

Formula C44H51N5O7
IUPAC Name benzyl n-[(1r)-1-[(2s,4r)-2-[[(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl]carbamoyl]-4-(p-tolylmethoxy)pyrrolidine-1-carbonyl]-3-phenyl-propyl]carbamate
Molecular Mass 761.905 g·mol−1
Heat of Formation -884.7 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 943.22 Å 3
Surface Area 738.34 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey TVIIOXGKJUPSLO-XBIDFNDNSA-N
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