N-{(1E)-1-Amino-5-[(Diaminomethylene)Amino]-1-Hydroxy-1-Penten-2-Yl}Benzamide

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Properties Simple | Detailed

Formula C13H19N5O2
IUPAC Name n-[(1e)-1-[amino(hydroxy)methylene]-4-guanidino-butyl]benzamide
Molecular Mass 277.322 g·mol−1
Heat of Formation -173.8 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 342.22 Å 3
Surface Area 321.99 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • bag
  • benzoyl-l-arginine amide
  • n-[(1e)-1-(amino-hydroxy-methylene)-4-guanidino-butyl]benzamide
  • n-[(1e)-1-(amino-hydroxymethylene)-4-guanidinobutyl]benzamide
  • n-[(e)-1-amino-5-(diaminomethylideneamino)-1-hydroxy-pent-1-en-2-yl]benzamide
  • n-[(e)-1-amino-5-(diaminomethylideneamino)-1-hydroxypent-1-en-2-yl]benzamide
  • n-[(e)-2-amino-1-(3-guanidinopropyl)-2-hydroxy-vinyl]benzamide
  • n-[(e)-2-amino-1-(3-{[amino(imino)methyl]amino}propyl)-2-hydroxyvinyl]benzamide
InChIKey YRINIXCRGISJPA-ZHACJKMWSA-N
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