3-Pyridinylmethyl {(2R,5R)-5-[(N-{[(2-Isopropyl-1,3-Thiazol-4-Yl)Methyl](Methyl)Carbamoyl}-L-Valyl)Amino]-1,6-Diphenyl-2-Hexanyl}Carbamate

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Properties Simple | Detailed

Formula C39H50N6O4S
IUPAC Name 3-pyridylmethyl n-[(1r,4s)-1-benzyl-4-[[(2r)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
Molecular Mass 698.917 g·mol−1
Heat of Formation -549.3 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 890.21 Å 3
Surface Area 642.98 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey DXYIYKUZINROPB-VUHKNJSWSA-N
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