1-[(1-Carbamimidamido-4-Chloro-7-Isoquinolinyl)Sulfonyl]-D-Proline

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Properties Simple | Detailed

Formula C15H16ClN5O4S
IUPAC Name (2r)-1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylic acid
Molecular Mass 397.837 g·mol−1
Heat of Formation -522.0 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 519.28 Å 3
Surface Area 347.52 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]-2-pyrrolidinecarboxylic acid
  • (2r)-1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]proline
  • (2r)-1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylic acid
  • (2r)-1-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylic acid
  • qgg
InChIKey MWEYSFQTTAFUFL-GFCCVEGCSA-N
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