N-[(2S)-2-Sulfanylheptanoyl]-L-Phenylalanyl-L-Alanine

Molecule SVG Image

Properties Simple | Detailed

Formula C19H28N2O4S
IUPAC Name (2s)-2-[[(2s)-3-phenyl-2-[[(2s)-2-sulfanylheptanoyl]amino]propanoyl]amino]propanoic acid
Molecular Mass 380.502 g·mol−1
Heat of Formation -816.6 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 483.86 Å 3
Surface Area 410.04 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[[(2s)-2-mercapto-1-oxoheptyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid
  • (2s)-2-[[(2s)-2-[[(2s)-2-mercaptoheptanoyl]amino]-3-phenyl-propanoyl]amino]propionic acid
  • (2s)-2-[[(2s)-3-phenyl-2-[[(2s)-2-sulfanylheptanoyl]amino]propanoyl]amino]propanoic acid
  • [2(r,s)-2-sulfanylheptanoyl]-phe-ala
  • ti1
InChIKey GOIYKVXXGCPHQU-BPUTZDHNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N