Cilastatin

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Properties Simple | Detailed

Formula C16H26N2O5S
IUPAC Name (z)-7-[(2r)-2-amino-2-carboxy-ethyl]sulfanyl-2-[[(1s)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
Molecular Mass 358.453 g·mol−1
Heat of Formation -935.3 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 443.06 Å 3
Surface Area 342.0 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[[(z)-6-[[(1s)-2,2-dimethylcyclopropanecarbonyl]amino]-7-hydroxy-7-keto-hept-5-enyl]thio]propionic acid
  • (z)-7-[(2r)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-2-[[(1s)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
  • (z)-7-[(2r)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-2-[[(1s)-2,2-dimethylcyclopropyl]carbonylamino]hept-2-enoic acid
  • (z)-7-[(2r)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-2-[[(1s)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
  • (z)-7-[[(2r)-2-amino-3-hydroxy-3-oxopropyl]thio]-2-[[[(1s)-2,2-dimethylcyclopropyl]-oxomethyl]amino]hept-2-enoic acid
  • 2-heptenoic acid, 7-((2-amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-, (r-(r*,s*-(z)))-
  • cilastatina [spanish]
  • cilastatinum [latin]
InChIKey DHSUYTOATWAVLW-WFVMDLQDSA-N
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