Formula |
C19H21N3O6S |
IUPAC Name |
[(3s)-2-benzyloxycarbonyl-3-(methylcarbamoyl)-3,4-dihydro-1h-isoquinolin-7-yl]sulfamic acid |
Molecular Mass |
419.452 g·mol−1 |
Heat of Formation |
-872.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.22 ± 1.08 D |
Volume |
462.6 Å 3 |
Surface Area |
409.92 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
2.68 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (3r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid benzyl ester
- [(3s)-2-(benzyloxycarbonyl)-3-(methylcarbamoyl)-3,4-dihydro-1h-isoquinolin-7-yl]sulfamic acid
- [(3s)-3-(methylcarbamoyl)-2-(phenylmethoxycarbonyl)-3,4-dihydro-1h-isoquinolin-7-yl]sulfamic acid
- [(3s)-3-(methylcarbamoyl)-2-[oxo-(phenylmethoxy)methyl]-3,4-dihydro-1h-isoquinolin-7-yl]sulfamic acid
- sk2
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InChIKey |
MFDBNNQUDZFSES-KRWDZBQOSA-N |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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