Methyl N-[(6-{[(2-Aminoethyl)Amino]Methyl}-2-Pyridinyl)Carbonyl]-L-Histidinate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H22N6O3
IUPAC Name methyl (2s)-2-[[6-[(2-aminoethylamino)methyl]pyridine-2-carbonyl]amino]-3-imidazol-3-ium-4-ylium-4-yl-propanoate
Molecular Mass 346.384 g·mol−1
Heat of Formation -255.4 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 422.13 Å 3
Surface Area 375.73 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[6-[(2-aminoethylamino)methyl]pyridine-2-carbonyl]amino]-3-(3h-imidazol-4-yl)propionic acid methyl ester
  • (2s)-2-[[[6-[(2-aminoethylamino)methyl]-2-pyridyl]-oxomethyl]amino]-3-(3h-imidazol-4-yl)propanoic acid methyl ester
  • amphis
  • l-histidine, n-((6-(((2-aminoethyl)amino)methyl)-2-pyridinyl)carbonyl)-, methyl ester
  • methyl (2s)-2-[[6-[(2-aminoethylamino)methyl]pyridin-2-yl]carbonylamino]-3-(3h-imidazol-4-yl)propanoate
  • methyl (2s)-2-[[6-[(2-aminoethylamino)methyl]pyridine-2-carbonyl]amino]-3-(3h-imidazol-4-yl)propanoate
  • methyl 2-(((2-aminoethyl)amino)methyl)-6-carboxylpyridinehistidinate
  • n-((6-(((2-aminoethyl)amino)methyl)-2-pyridinyl)carbonyl)-l-histidine methyl ester
CAS Number(s)
  • 85363-09-3
InChIKey FLTZFVMSTMNKPJ-AWEZNQCLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N