Ethyl (4R)-4-{[(2R,5S)-2-(4-Fluorobenzyl)-6-Methyl-5-{[(5-Methyl-1,2-Oxazol-3-Yl)Carbonyl]Amino}-4-Oxoheptanoyl]Amino}-5-[(3S)-2-Oxo-3-Pyrrolidinyl]Pentanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C31H41FN4O7
IUPAC Name ethyl (4r)-4-[[(2r,5s)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
Molecular Mass 600.678 g·mol−1
Heat of Formation -1362.6 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 726.27 Å 3
Surface Area 574.78 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[[(2r,5s)-2-(4-fluorobenzyl)-4-keto-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]heptanoyl]amino]-5-[(3s)-2-ketopyrrolidin-3-yl]valeric acid ethyl ester
  • (4r)-4-[[(2r,5s)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1,4-dioxoheptyl]amino]-5-[(3s)-2-oxo-3-pyrrolidinyl]pentanoic acid ethyl ester
  • 4-{2-(4-fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pentanoic acid ethyl ester
  • ag7
  • ethyl (4r)-4-[[(2r,5s)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-4-oxo-heptanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
  • ethyl (4r)-4-[[(2r,5s)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
  • ethyl (4r)-4-[[(2r,5s)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
InChIKey LMIUALQNZXJHOG-IFILWLFVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N