Formula |
C16H23N3O6S |
IUPAC Name |
[(3r)-3-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1h-isoquinolin-7-yl]sulfamic acid |
Molecular Mass |
385.435 g·mol−1 |
Heat of Formation |
-1086.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.36 ± 1.08 D |
Volume |
435.44 Å 3 |
Surface Area |
376.56 Å 2 |
HOMO Energy |
-8.84 ± 0.55 eV |
LUMO Energy |
2.75 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3(r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
- [(3r)-2-(tert-butoxy-oxomethyl)-3-(methylcarbamoyl)-3,4-dihydro-1h-isoquinolin-7-yl]sulfamic acid
- [(3r)-2-tert-butoxycarbonyl-3-(methylcarbamoyl)-3,4-dihydro-1h-isoquinolin-7-yl]sulfamic acid
- ent
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InChIKey |
PPSSYXOFPICMQD-CYBMUJFWSA-N |
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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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