(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-Dihydroxy-1,6-Diphenyl-2,5-Hexanediyl]Bis(3-Methyl-2-{[(2S)-3-[(2-Methyl-2-Propanyl)Sulfonyl]-2-(1-Naphthylmethyl)Propanoyl]Amino}Butanamide)

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Properties Simple | Detailed

Formula C64H82N4O10S2
IUPAC Name (2s)-n-[(1s,2r,3r,4s)-1-benzyl-4-[[(2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanamide
Molecular Mass 1131.487 g·mol−1
Heat of Formation -1766.3 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 1430.13 Å 3
Surface Area 962.11 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)-1-oxopropyl]amino]-n-[(1s,2r,3r,4s)-4-[[(2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-2,3-dihydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-methylbutanamide
  • (2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-n-[(1s,2r,3r,4s)-4-[[(2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-butanamide
  • (2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-n-[(2s,3r,4r,5s)-5-[[(2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-3-methyl-butanoyl]amino]-3,4-dihydroxy-1,6-di(phenyl)hexan-2-yl]-3-methyl-butanamide
  • (2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-n-[(2s,3r,4r,5s)-5-[[(2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-3,4-dihydroxy-1,6-di(phenyl)hexan-2-yl]-3-methylbutanamide
  • (2s)-n-[(1s,2r,3r,4s)-1-(benzyl)-4-[[(2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butyramide
  • bay
  • hoe/bay 793
  • n,n'-bis-[(2s-(1,1-dimethylethylsulfonylmethyl)-3-(1-naphthyl)propionyl)-l-valyl]-2s,5s-diamino-1,6-diphenylhexane-3r,4r-diol
  • n-(1-benzyl-2,3-dihydroxy-4-{3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-5-phenyl-pentyl)-3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyramide
InChIKey SLMNRLLEZHMSPU-GUGFCMTPSA-N
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