N~2~-{[(2-Isopropyl-1,3-Thiazol-4-Yl)Methyl](Methyl)Carbamoyl}-N-[(2R,5S)-1-Phenyl-5-{[(1,3-Thiazol-5-Ylmethoxy)Carbonyl]Amino}-2-Octanyl]-L-Valinamide

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Properties Simple | Detailed

Formula C33H48N6O4S2
IUPAC Name thiazol-5-ylmethyl n-[(1s,4r)-4-[[(2s)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-1-propyl-pentyl]carbamate
Molecular Mass 656.902 g·mol−1
Heat of Formation -634.3 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 831.73 Å 3
Surface Area 640.86 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
InChIKey SMWGYCRIYRMWHW-HFASVGIHSA-N
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