| Formula |
C14H17NO5S |
| IUPAC Name |
(2s)-2-[[(2s)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid |
| Molecular Mass |
311.353 g·mol−1 |
| Heat of Formation |
-805.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.92 ± 1.08 D |
| Volume |
356.73 Å 3 |
| Surface Area |
291.86 Å 2 |
| HOMO Energy |
-8.80 ± 0.55 eV |
| LUMO Energy |
2.73 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2s)-2-[[(2s)-2-(1,3-benzodioxol-5-ylmethyl)-3-mercapto-1-oxopropyl]amino]propanoic acid
- (2s)-2-[[(2s)-2-(1,3-benzodioxol-5-ylmethyl)-3-mercapto-propanoyl]amino]propionic acid
- (2s)-2-[[(2s)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid
- (2s)-2-[[(2s)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid
|
| InChIKey |
TXSINLUUGRGAJO-WCBMZHEXSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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