2-[N~5~-(Diaminomethylene)-L-Ornithyl]-1,3-Benzothiazole-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H17N5O3S
IUPAC Name 2-[(2s)-2-amino-5-guanidino-pentanoyl]-1,3-benzothiazole-6-carboxylic acid
Molecular Mass 335.381 g·mol−1
Heat of Formation -243.2 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 382.81 Å 3
Surface Area 355.03 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s)-2-amino-5-(diaminomethylideneamino)pentanoyl]-1,3-benzothiazole-6-carboxylic acid
  • 2-[(2s)-2-amino-5-guanidino-1-oxopentyl]-1,3-benzothiazole-6-carboxylic acid
  • 2-[(2s)-2-amino-5-guanidino-pentanoyl]-1,3-benzothiazole-6-carboxylic acid
  • arginyl-benzothiazole-6-carboxylic acid
InChIKey FNGTVLJWXRDWAE-QMMMGPOBSA-N
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