(2S,3R)-N-[5-Chloro-2-(2,3-Dihydro-1H-Tetrazol-1-Yl)Benzyl]-3-Hydroxy-4-{[(4-Methoxyphenyl)Sulfonyl]Amino}-1-Phenyl-2-Butanaminium

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Properties Simple | Detailed

Formula C25H30ClN6O4S+
IUPAC Name [(1s,2r)-1-benzyl-2-hydroxy-3-[(4-methoxyphenyl)sulfonylamino]propyl]-[[5-chloro-2-(2,3-dihydrotetrazol-1-yl)phenyl]methyl]ammonium
Molecular Mass 546.062 g·mol−1
Heat of Formation 3640.3 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 564.16 Å 3
Surface Area 453.36 Å 2
Point Group Symmetry C1
Synonyms
  • (2s,3r)-n-[5-chloro-2-(2,3-dihydro-1h-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbutan-2-aminium
  • [(1s,2r)-1-(benzyl)-2-hydroxy-3-[(4-methoxyphenyl)sulfonylamino]propyl]-[5-chloro-2-(2,3-dihydrotetrazol-1-yl)benzyl]ammonium
  • [5-chloro-2-(2,3-dihydro-1,2,3,4-tetrazol-1-yl)phenyl]methyl-[(2s,3r)-3-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]-1-phenyl-butan-2-yl]azanium
  • [5-chloro-2-(2,3-dihydrotetrazol-1-yl)phenyl]methyl-[(1s,2r)-2-hydroxy-3-[(4-methoxyphenyl)sulfonylamino]-1-(phenylmethyl)propyl]ammonium
  • inhibitor of thrombin
InChIKey LMFQPEFBZUDVPR-UKILVPOCSA-O
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Elements S N C O Cl