N-[(1S,6S)-1-Carboxy-6-Hydroxy-3-Oxoheptyl]-L-Alanyl-L-Tyrosine

Molecule SVG Image

Properties Simple | Detailed

Formula C20H28N2O8
IUPAC Name (2s,7s)-2-[[(1s)-2-[[(1s)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-7-hydroxy-4-oxo-octanoic acid
Molecular Mass 424.445 g·mol−1
Heat of Formation -1513.2 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 512.85 Å 3
Surface Area 387.63 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,7s)-7-hydroxy-2-[[(1s)-2-[[(1s)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-4-keto-caprylic acid
  • (2s,7s)-7-hydroxy-2-[[(1s)-2-[[(1s)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-octanoic acid
  • (2s,7s)-7-hydroxy-2-[[(1s)-2-[[(1s)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]-1-methyl-2-oxoethyl]amino]-4-oxooctanoic acid
  • (2s,7s)-7-hydroxy-2-[[(2s)-1-[[(2s)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxo-propan-2-yl]amino]-1-oxo-propan-2-yl]amino]-4-oxo-octanoic acid
  • (2s,7s)-7-hydroxy-2-[[(2s)-1-[[(2s)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxooctanoic acid
  • l-tyrosine, n-((1s,6s)-1-carboxy-6-hydroxy-3-oxoheptyl)-l-alanyl-
  • wf 10129
  • wf-10129
CAS Number(s)
  • 109075-64-1
InChIKey VOFCPUVKMIAYMR-SYWGBEHUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N