(8S)-7-[(2S)-2-{[(1S)-1-Carboxy-3-Phenylpropyl]Amino}Propanoyl]-1,4-Dithia-7-Azaspiro[4.4]Nonane-8-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H26N2O5S2
IUPAC Name (8s)-7-[(2s)-2-[[(1s)-1-carboxy-3-phenyl-propyl]amino]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
Molecular Mass 438.561 g·mol−1
Heat of Formation -834.5 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 510.43 Å 3
Surface Area 413.14 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (7s)-8-[(2s)-2-[[(1s)-1-carboxy-3-phenyl-propyl]amino]propanoyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid
  • (7s)-8-[(2s)-2-[[(1s)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid
  • (7s)-8-[(2s)-2-[[(2s)-1-hydroxy-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-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid
  • (8s)-7-((s)-n-((s)-1-carboxy-3-phenylpropyl)alanyl)-1,4-dithia-7-azaspiro(4.4)nonane-8-carboxylic acid
  • 1,4-dithia-7-azaspiro(4.4)nonane-8-carboxylic acid, 7-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-, (8s-(7(r*(r*)),8r*))-
  • d03775
  • sch 33861
  • spiraprilat
  • spiraprilat (usan)
CAS Number(s)
  • 83602-05-5
InChIKey FMMDBLMCSDRUPA-BPUTZDHNSA-N
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