Methyl N-[(2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanoyl]-L-Leucinate

Molecule SVG Image

Properties Simple | Detailed

Formula C17H26N2O4
IUPAC Name methyl (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoate
Molecular Mass 322.399 g·mol−1
Heat of Formation -753.1 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 411.14 Å 3
Surface Area 357.54 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-n-[(2s, 3r)-3-amino-2-hydroxy-4-phenylbutyryl]-l-leucine methyl ester
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]amino]-4-methylpentanoic acid methyl ester
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-valeric acid methyl ester
  • bestatin methyl ester
  • methyl (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoate
  • methyl (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate
InChIKey WGNKTWBIPBOGLO-ILXRZTDVSA-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