(2S)-N-{(2S,3R)-3-Hydroxy-4-[({4-[(E)-(Hydroxyimino)Methyl]Phenyl}Sulfonyl)(Isobutyl)Amino]-1-Phenyl-2-Butanyl}-3-Methyl-2-{3-[(2-Methyl-1,3-Thiazol-4-Yl)Methyl]-2-Oxo-1-Imidazolidinyl}Butanamide

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Properties Simple | Detailed

Formula C34H46N6O6S2
IUPAC Name (2s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[4-[(e)-hydroxyiminomethyl]phenyl]sulfonyl-isobutyl-amino]propyl]-3-methyl-2-[3-[(2-methylthiazol-4-yl)methyl]-2-oxo-imidazolidin-1-yl]butanamide
Molecular Mass 698.896 g·mol−1
Heat of Formation -782.2 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 838.44 Å 3
Surface Area 545.16 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s,2r)-1-(benzyl)-3-[[4-[(e)-hydroximinomethyl]phenyl]sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-2-[2-keto-3-[(2-methylthiazol-4-yl)methyl]imidazolidin-1-yl]-3-methyl-butyramide
  • (2s)-n-[(1s,2r)-2-hydroxy-3-[[4-[(e)-hydroxyiminomethyl]phenyl]sulfonyl-isobutyl-amino]-1-(phenylmethyl)propyl]-3-methyl-2-[3-[(2-methylthiazol-4-yl)methyl]-2-oxo-imidazolidin-1-yl]butanamide
  • (2s)-n-[(1s,2r)-2-hydroxy-3-[[4-[(e)-hydroxyiminomethyl]phenyl]sulfonyl-isobutylamino]-1-(phenylmethyl)propyl]-3-methyl-2-[3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-1-imidazolidinyl]butanamide
  • (2s)-n-[(2s,3r)-3-hydroxy-4-[[4-[(e)-hydroxyiminomethyl]phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenyl-butan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-imidazolidin-1-yl]butanamide
  • (s)-n-((2s,3r)-3-hydroxy-4-(4-((e)-(hydroxyimino)methyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-yl)-3-methyl-2-(3-((2-methylthiazol-4-yl)methyl)-2-oxoimidazolidin-1-yl)butanamide
  • 1-imidazolidineacetamide, n-[(1s,2r)-2-hydroxy-3-[[[4-[(e)-(hydroxyimino)methyl]phenyl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-.alpha.-(1-methylethyl)-3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-, (.alpha.s)-
  • ois
  • oximinoarylsulfonamide
InChIKey PJLSJXTZOMOVBI-KKWNBLJUSA-N
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