(4R)-N-Tert-Butyl-3-[(2S,3S)-2-Hydroxy-3-({N-[(Isoquinolin-5-Yloxy)Acetyl]-S-Methyl-L-Cysteinyl}Amino)-4-Phenylbutanoyl]-1,3-Thiazolidine-4-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C33H41N5O6S2
IUPAC Name (4r)-n-(1,1-dimethylethyl)-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide
Molecular Mass 667.839 g·mol−1
Heat of Formation -917.4 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 803.63 Å 3
Surface Area 544.99 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-(2-isoquinolin-5-yloxyethanoylamino)-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxamide
  • (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
  • (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-[[2-(5-isoquinolyloxy)-1-oxoethyl]amino]-3-(methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-4-thiazolidinecarboxamide
  • (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-(methylthio)propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide
  • (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-[[(2r)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide
  • (n-tert-butyl-thioproline)-(5-isoquinolyloxyacetyl-methylthioalanine)-allophenylnorstatine
  • 4-thiazolidinecarboxamide, n-(1,1-dimethylethyl)-3-(2-hydroxy-3-((2-(((5-isoquinolinyloxy)acetyl)amino)-3-(methylthio)-1-oxopropyl)amino)-1-oxo-4-phenylbutyl)-, (4r-(3(2s*,3s*(r*)),4r*))-
  • 5isoquinoline-o-ch2-co-mta-(2s,3s)-ahpba-thz-nh-tbu
  • drg-0219
  • iqoa-mta-apns-thz-nh-tbu
  • kni
  • kni-272
  • kynostatin 272
  • kynostatin 272 [mesh]
  • kynostatin-272
  • lecithinized superoxide dismutase & n-(1,1-dimethylethyl)-3-[2-hydroxy-3-[[2-[[(5-isoquinolinyloxy)acetyl]amino]-3-methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-4-thiazolidinecarboxamide, [4r-[3[2s*,3s*(r*)],4r*]]
  • n-(1,1-dimethylethyl)-3-[2-hydroxy-3-[[2-[[(5-isoquinolinyloxy)acetyl]amino]-3-methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-4-thiazolidinecarboxamide, [4r-[3[2s*,3s*(r*)],4r*]]
  • pc-sod+kni-272
CAS Number(s)
  • 147318-81-8
InChIKey NJBBLOIWMSYVCQ-VZTVMPNDSA-N
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