N-[(2S)-1-(1,3-Benzothiazol-2-Yl)-5-Carbamimidamido-1-Oxopentan-2-Yl]Cyclopentanecarboxamide

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Formula C19H26N5O2S
IUPAC Name n-[(1s)-1-(1,3-benzothiazol-3-ium-7a-ide-2-carbonyl)-4-guanidino-butyl]cyclopentanecarboxamide
Molecular Mass 388.507 g·mol−1
Heat of Formation -163.5 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 465.39 Å 3
Surface Area 379.33 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
Synonyms
  • cyclopentanecarboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide
  • n-[(1s)-1-(1,3-benzothiazol-2-yl-oxomethyl)-4-guanidinobutyl]cyclopentanecarboxamide
  • n-[(1s)-1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]cyclopentanecarboxamide
  • n-[(2s)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]cyclopentanecarboxamide
  • n-[(2s)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]cyclopentanecarboxamide
  • rwj
  • rwj-51084
InChIKey NQABUEUFRXDDFI-AWEZNQCLSA-N
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