Formula |
C22H30N2O5S2 |
IUPAC Name |
(8s)-7-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]ammonio]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate |
Molecular Mass |
466.614 g·mol−1 |
Heat of Formation |
-849.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.08 ± 1.08 D |
Volume |
558.21 Å 3 |
Surface Area |
444.3 Å 2 |
HOMO Energy |
-9.06 ± 0.55 eV |
LUMO Energy |
-0.71 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (7s)-8-[(2s)-2-[[(1s)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid
- (7s)-8-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid
- (7s)-8-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenylpropyl]amino]-1-oxopropyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid
- (7s)-8-[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid
- (7s)-8-[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid
- sandopril
- sch-33844
- setrilan
- ti-211-950
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InChIKey |
HRWCVUIFMSZDJS-SZMVWBNQSA-N |
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Elements |
H
S
C
O
N
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