(2R)-2-{[(2S)-2-Ammonio-4-Methylpentanoyl]Amino}-3-Phenylpropanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C15H22N2O3
IUPAC Name (2r)-2-[[(2s)-2-amino-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid
Molecular Mass 278.347 g·mol−1
Heat of Formation -576.7 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 365.38 Å 3
Surface Area 316.94 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2s)-2-ammonio-4-methyl-1-oxopentyl]amino]-3-phenylpropanoate
  • (2r)-2-[[(2s)-2-ammonio-4-methyl-pentanoyl]amino]-3-phenyl-propionate
  • (2r)-2-[[(2s)-2-azaniumyl-4-methyl-pentanoyl]amino]-3-phenyl-propanoate
  • (2r)-2-[[(2s)-2-azaniumyl-4-methylpentanoyl]amino]-3-phenylpropanoate
InChIKey KFKWRHQBZQICHA-QWHCGFSZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N