(4R)-3-[(2S,3S)-3-{[(2,6-Dimethylphenoxy)Acetyl]Amino}-2-Hydroxy-4-Phenylbutanoyl]-N-[(1S,2R)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide

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Properties Simple | Detailed

Formula C35H41N3O6S
IUPAC Name (4r)-3-[(2s,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-n-[(1s,2r)-2-hydroxyindan-1-yl]-5,5-dimethyl-thiazolidine-4-carboxamide
Molecular Mass 631.782 g·mol−1
Heat of Formation -928.0 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 759.67 Å 3
Surface Area 549.17 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-3-[(2s,3s)-3-[2-(2,6-dimethylphenoxy)ethanoylamino]-2-hydroxy-4-phenyl-butanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
  • (4r)-3-[(2s,3s)-3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-n-[(1s,2r)-2-hydroxy-1-indanyl]-5,5-dimethyl-4-thiazolidinecarboxamide
  • (4r)-3-[(2s,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-n-[(1s,2r)-2-hydroxyindan-1-yl]-5,5-dimethyl-thiazolidine-4-carboxamide
  • (4r)-3-[(2s,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
InChIKey KKTYZYHUPKXLPL-RIQJEONASA-N
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