N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Alanyl-N-{(2S)-2-[(1,4-Dioxo-1,2,3,4-Tetrahydro-6-Phthalazinyl)Amino]-3-Phenylpropanoyl}-L-Alaninamide

Molecule SVG Image

Properties Simple | Detailed

Formula C28H34N6O7
IUPAC Name tert-butyl n-[(1s)-2-[[(1s)-2-[[(2s)-2-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]-3-phenyl-propanoyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate
Molecular Mass 566.606 g·mol−1
Heat of Formation -1088.9 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 677.15 Å 3
Surface Area 538.34 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • boc-aapil
  • boc-alanyl-alanyl-phenylalanine-isoluminolamide
  • butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide
  • l-phenylalaninamide, n-((1,1-dimethylethoxy)carbonyl)-l-alanyl-l-alanyl-n-(1,2,3,4-tetrahydro-1,4-dioxo-6-phthalazinyl)-
  • n-[(1s)-2-[[(1s)-2-[[(2s)-2-[(1,4-diketo-2,3-dihydrophthalazin-6-yl)amino]-3-phenyl-propanoyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester
  • n-[(1s)-2-[[(1s)-2-[[(2s)-2-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]-1-oxo-3-phenylpropyl]amino]-1-methyl-2-oxoethyl]amino]-1-methyl-2-oxoethyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(1s)-2-[[(1s)-2-[[(2s)-2-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]-3-phenyl-propanoyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate
  • tert-butyl n-[(2s)-1-[[(2s)-1-[[(2s)-2-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]-3-phenyl-propanoyl]amino]-1-oxo-propan-2-yl]amino]-1-oxo-propan-2-yl]carbamate
  • tert-butyl n-[(2s)-1-[[(2s)-1-[[(2s)-2-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
  • tert-butyloxycarbonyl-ala-ala-phe-isoluminolamide
CAS Number(s)
  • 77303-12-9
InChIKey YEQVNUODDMJNFZ-QYWGDWMGSA-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