1,3-Thiazol-5-Ylmethyl {(3S,6S)-6-[(N-{[(2-Isopropyl-1,3-Thiazol-4-Yl)Methyl](Methyl)Carbamoyl}-L-Seryl)Amino]-3-Octanyl}Carbamate

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Properties Simple | Detailed

Formula C25H40N6O5S2
IUPAC Name thiazol-5-ylmethyl n-[(1s,4s)-1-ethyl-4-[[(2s)-3-hydroxy-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]propanoyl]amino]hexyl]carbamate
Molecular Mass 568.752 g·mol−1
Heat of Formation -845.5 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 711.4 Å 3
Surface Area 581.71 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey SUQJOWRIFVHNKN-WFXMLNOXSA-N
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