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

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Properties Simple | Detailed

Formula C40H45N5O9S2
IUPAC Name (4r)-n-[(1s,2r)-2-hydroxyindan-1-yl]-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfonyl-propanoyl]amino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide
Molecular Mass 803.943 g·mol−1
Heat of Formation -1370.4 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 907.73 Å 3
Surface Area 576.84 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-n-[(1s,2r)-2-hydroxy-1-indanyl]-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-[[2-(5-isoquinolyloxy)-1-oxoethyl]amino]-3-methylsulfonyl-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxamide
  • (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-(2-isoquinolin-5-yloxyethanoylamino)-3-methylsulfonyl-propanoyl]amino]-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
  • (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfonylpropanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
  • (4r)-n-[(1s,2r)-2-hydroxyindan-1-yl]-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-mesyl-propanoyl]amino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide
  • (4r)-n-[(1s,2r)-2-hydroxyindan-1-yl]-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfonyl-propanoyl]amino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide
InChIKey GNSJNHNIJIEWNZ-SHJYOGRKSA-N
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