[(2S,6R)-6-{[(2S)-1-Ethoxy-1-Oxo-4-Phenyl-2-Butanyl]Amino}-5-Oxo-2-(2-Thienyl)-1,4-Thiazepan-4-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C23H28N2O5S2
IUPAC Name 2-[(2s,6r)-6-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]ammonio]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetate
Molecular Mass 476.609 g·mol−1
Heat of Formation -183.0 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 555.41 Å 3
Surface Area 444.53 Å 2
Point Group Symmetry C1
Synonyms
  • 2-[(2s,6r)-6-[[(1s)-1-carbethoxy-3-phenyl-propyl]amino]-5-keto-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid
  • 2-[(2s,6r)-6-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid
  • 2-[(2s,6r)-6-[[(1s)-1-ethoxycarbonyl-3-phenylpropyl]amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid
  • 2-[(2s,6r)-6-[[(2s)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoic acid
  • 2-[(2s,6r)-6-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
InChIKey FIQOFIRCTOWDOW-BJLQDIEVSA-N
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