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

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Properties Simple | Detailed

Formula C25H40N6O4S2
IUPAC Name thiazol-5-ylmethyl n-[(1s,4s)-4-[[(2r)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-1-methyl-pentyl]carbamate
Molecular Mass 552.753 g·mol−1
Heat of Formation -684.1 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 705.97 Å 3
Surface Area 572.91 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey TYLOVNGZCFIJOG-BBTUJRGHSA-N
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