3-[({5-[2-(4-Piperidinyl)Ethyl]Thieno[2,3-B]Thiophen-2-Yl}Carbonyl)Amino]-N-(3-Pyridinylsulfonyl)-D-Alanine

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Properties Simple | Detailed

Formula C22H26N4O5S3
IUPAC Name (2r)-3-[[2-[2-(4-piperidyl)ethyl]thieno[2,3-b]thiophene-5-carbonyl]amino]-2-(3-pyridylsulfonylamino)propanoic acid
Molecular Mass 522.661 g·mol−1
Heat of Formation -580.6 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 583.13 Å 3
Surface Area 485.5 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-[[2-(2-piperidin-4-ylethyl)thieno[3,2-d]thiophen-5-yl]carbonylamino]-2-(pyridin-3-ylsulfonylamino)propanoic acid
  • (2r)-3-[[2-(2-piperidin-4-ylethyl)thieno[3,2-d]thiophene-5-carbonyl]amino]-2-(pyridin-3-ylsulfonylamino)propanoic acid
  • (2r)-3-[[2-[2-(4-piperidyl)ethyl]thieno[3,2-d]thiophene-5-carbonyl]amino]-2-(3-pyridylsulfonylamino)propanoic acid
  • (2r)-3-[[2-[2-(4-piperidyl)ethyl]thieno[3,2-d]thiophene-5-carbonyl]amino]-2-(3-pyridylsulfonylamino)propionic acid
  • (2r)-3-[[oxo-[2-[2-(4-piperidinyl)ethyl]-5-thieno[3,2-d]thiophenyl]methyl]amino]-2-(3-pyridylsulfonylamino)propanoic acid
  • 2-(s)-[n-(3-pyridylsulfonyl)amino]-3-[[2-carbonyl-5-[2-(piperidin-4-yl)ethyl]-thieno[2,3-b]thiopheneyl]amino]-propionic acid
  • merck l739758
InChIKey QDIFCBMBPLLNGR-GOSISDBHSA-N
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