Formula |
C18H26N2O5S2 |
IUPAC Name |
(2s)-4-methyl-2-[[(3r)-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
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Synonyms
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- (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
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InChIKey |
GFEHACHKMVZGNQ-HOTGVXAUSA-N |
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Elements |
H
S
C
O
N
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