N-({(3R)-4-[(4-Methylphenyl)Sulfonyl]-3-Thiomorpholinyl}Carbonyl)-L-Leucine

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Properties Simple | Detailed

Formula C18H26N2O5S2
IUPAC Name (2s)-4-methyl-2-[[(3r,4s)-4-(p-tolylsulfonyl)thiomorpholine-3-carbonyl]amino]pentanoic acid
Molecular Mass 414.539 g·mol−1
Heat of Formation -909.6 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 479.36 Å 3
Surface Area 379.12 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-methyl-2-[[(3r)-4-(4-methylphenyl)sulfonylthiomorpholin-3-yl]carbonylamino]pentanoic acid
  • (2s)-4-methyl-2-[[(3r)-4-(4-methylphenyl)sulfonylthiomorpholine-3-carbonyl]amino]pentanoic acid
  • (2s)-4-methyl-2-[[(3r)-4-(4-methylphenyl)sulfonylthiomorpholine-3-carbonyl]amino]valeric acid
  • (2s)-4-methyl-2-[[[(3r)-4-(4-methylphenyl)sulfonyl-3-thiomorpholinyl]-oxomethyl]amino]pentanoic acid
  • (3r)-4-(p-toluenesulfonyl)-1,4-thiazane-3-carboxylic acid-l-leucine
  • 4-methyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-pentanoic acid
InChIKey GFEHACHKMVZGNQ-HOTGVXAUSA-N
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