N~2~-{[(2-Isopropyl-1,3-Thiazol-4-Yl)Methyl](Methyl)Carbamoyl}-N-[(2R,5R)-5-{[(1,3-Oxazol-5-Ylmethoxy)Carbonyl]Amino}-1,6-Diphenyl-2-Hexanyl]-L-Valinamide

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Properties Simple | Detailed

Formula C37H48N6O5S
IUPAC Name oxazol-5-ylmethyl n-[(1r,4r)-1-benzyl-4-[[(2s)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
Molecular Mass 688.879 g·mol−1
Heat of Formation -643.3 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 866.52 Å 3
Surface Area 668.23 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey ZBUUPRZMJYAPQF-QSCLJHCWSA-N
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