(2Z)-7-{[(2S)-2-Amino-2-Carboxyethyl]Sulfanyl}-2-({[(1R)-2,2-Dimethylcyclopropyl]Carbonyl}Amino)-2-Heptenoic Acid

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Properties Simple | Detailed

Formula C16H26N2O5S
IUPAC Name (z)-7-[(2s)-2-amino-2-carboxy-ethyl]sulfanyl-2-[[(1r)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
Molecular Mass 358.453 g·mol−1
Heat of Formation -912.0 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 450.56 Å 3
Surface Area 352.54 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[[(z)-6-[[(1r)-2,2-dimethylcyclopropanecarbonyl]amino]-7-hydroxy-7-keto-hept-5-enyl]thio]propionic acid
  • (z)-7-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-2-[[(1r)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
  • (z)-7-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-2-[[(1r)-2,2-dimethylcyclopropyl]carbonylamino]hept-2-enoic acid
  • (z)-7-[(2s)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-2-[[(1r)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
  • (z)-7-[[(2s)-2-amino-3-hydroxy-3-oxopropyl]thio]-2-[[[(1r)-2,2-dimethylcyclopropyl]-oxomethyl]amino]hept-2-enoic acid
InChIKey DHSUYTOATWAVLW-RXOUDOFYSA-N
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