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

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Properties Simple | Detailed

Formula C30H40N4O5S
IUPAC Name (4r)-3-[(2s,3s)-3-[[2-(4-amino-2,6-dimethyl-phenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-n-(2-methylallyl)thiazolidine-4-carboxamide
Molecular Mass 568.727 g·mol−1
Heat of Formation -803.8 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 701.9 Å 3
Surface Area 525.24 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-3-[(2s,3s)-3-[2-(4-amino-2,6-dimethyl-phenoxy)ethanoylamino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-n-(2-methylprop-2-enyl)-1,3-thiazolidine-4-carboxamide
  • (4r)-3-[(2s,3s)-3-[[2-(4-amino-2,6-dimethyl-phenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-n-(2-methylprop-2-enyl)thiazolidine-4-carboxamide
  • (4r)-3-[(2s,3s)-3-[[2-(4-amino-2,6-dimethylphenoxy)-1-oxoethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-n-(2-methylprop-2-enyl)-4-thiazolidinecarboxamide
  • (4r)-3-[(2s,3s)-3-[[2-(4-amino-2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-n-(2-methylprop-2-enyl)-1,3-thiazolidine-4-carboxamide
InChIKey YCDHYYBDJVMMOY-SCTDOJESSA-N
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