N~2~-Acetyl-N-[(2S,4S,5S)-5-({[(5S)-3-(3-Acetylphenyl)-2-Oxo-1,3-Oxazolidin-5-Yl]Carbonyl}Amino)-4-Hydroxy-1,6-Diphenyl-2-Hexanyl]-L-Valinamide

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Properties Simple | Detailed

Formula C37H44N4O7
IUPAC Name (5s)-n-[(1s,2s,4s)-4-[[(2s)-2-acetamido-3-methyl-butanoyl]amino]-1-benzyl-2-hydroxy-5-phenyl-pentyl]-3-(3-acetylphenyl)-2-oxo-oxazolidine-5-carboxamide
Molecular Mass 656.768 g·mol−1
Heat of Formation -1177.7 ± 16.7 kJ·mol−1
Dipole Moment 8.55 ± 1.08 D
Volume 808.66 Å 3
Surface Area 584.56 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-n-[(1s,2s,4s)-4-[[(2s)-2-acetamido-3-methyl-1-oxobutyl]amino]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-(3-acetylphenyl)-2-oxo-5-oxazolidinecarboxamide
  • (5s)-n-[(1s,2s,4s)-4-[[(2s)-2-acetamido-3-methyl-butanoyl]amino]-1-(benzyl)-2-hydroxy-5-phenyl-pentyl]-3-(3-acetylphenyl)-2-keto-oxazolidine-5-carboxamide
  • (5s)-n-[(1s,2s,4s)-4-[[(2s)-2-acetamido-3-methyl-butanoyl]amino]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-(3-acetylphenyl)-2-oxo-oxazolidine-5-carboxamide
  • (5s)-n-[(2s,3s,5s)-5-[[(2s)-2-acetamido-3-methyl-butanoyl]amino]-3-hydroxy-1,6-di(phenyl)hexan-2-yl]-3-(3-ethanoylphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
  • (5s)-n-[(2s,3s,5s)-5-[[(2s)-2-acetamido-3-methylbutanoyl]amino]-3-hydroxy-1,6-di(phenyl)hexan-2-yl]-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
  • mu1
InChIKey CZPLKLADANMGQQ-JUZBSFEJSA-N
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