N-[2-({(1S)-1-Carboxy-4-[(Diaminomethylene)Amino]Butyl}Amino)Ethyl]-L-Histidine

Molecule SVG Image

Properties Simple | Detailed

Formula C14H25N7O4
IUPAC Name (2s)-2-[2-[[(1s)-1-carboxy-2-imidazol-3-ium-4-ylium-4-yl-ethyl]amino]ethylamino]-5-guanidino-pentanoic acid
Molecular Mass 355.393 g·mol−1
Heat of Formation -626.8 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 429.1 Å 3
Surface Area 355.08 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-(diaminomethylideneamino)-2-[2-[[(2s)-1-hydroxy-3-(3h-imidazol-4-yl)-1-oxo-propan-2-yl]amino]ethylamino]pentanoic acid
  • (2s)-5-(diaminomethylideneamino)-2-[2-[[(2s)-1-hydroxy-3-(3h-imidazol-4-yl)-1-oxopropan-2-yl]amino]ethylamino]pentanoic acid
  • (2s)-5-guanidino-2-[2-[[(1s)-2-hydroxy-1-(3h-imidazol-4-ylmethyl)-2-keto-ethyl]amino]ethylamino]valeric acid
  • (2s)-5-guanidino-2-[2-[[(1s)-2-hydroxy-1-(3h-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]ethylamino]pentanoic acid
  • (2s)-5-guanidino-2-[2-[[(1s)-2-hydroxy-1-(3h-imidazol-4-ylmethyl)-2-oxoethyl]amino]ethylamino]pentanoic acid
  • (s)-n-(2-((4-((aminoiminomethyl)amino)-1-carboxybutyl)amino)ethyl)-l-histidine
  • histargin
  • l-histidine, n-(2-((4-((aminoiminomethyl)amino)-1-carboxybutyl)amino)ethyl)-, (s)-
CAS Number(s)
  • 93361-66-1
InChIKey LLPMPMKLOHAIMY-QWRGUYRKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N