(8S)-7[(S)-N-[(S)-1-Carboxy-3-Phenylpropyl]Alanyl]-1,4-Dithia-7-Azaspiro[4.4]Nonane-8-Carboxylic Acid 1-Ethyl Ester

Molecule SVG Image

Properties Simple | Detailed

Formula C22H30N2O5S2
IUPAC Name (8s)-7-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
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
Synonyms
  • (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
InChIKey HRWCVUIFMSZDJS-SZMVWBNQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N