Dibenzyl [(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-Dibenzyl-9,10-Dihydroxy-5,14-Diisopropyl-3,6,13,16-Tetraoxo-4,7,12,15-Tetraazaoctadecane-2,17-Diyl]Biscarbamate

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Properties Simple | Detailed

Formula C50H64N6O10
IUPAC Name benzyl n-[(1s)-2-[[(1s)-1-[[(1s,2r,3r,4s)-1-benzyl-4-[[(2s)-2-[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamate
Molecular Mass 909.077 g·mol−1
Heat of Formation -1731.4 ± 16.7 kJ·mol−1
Dipole Moment 0.37 ± 1.08 D
Volume 1148.35 Å 3
Surface Area 872.9 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(4-((2s)-2-((2s)-2-((phenylmethoxy)carbonylamino)propanoylamino)-3-methylbutanoylamino)(1s,4s,2r,3r)-2,3-dihydroxy-5-phenyl-1-benzylpentyl)-2-((2s)-2-((phenylmethoxy)carbonylamino)propanoylamino)-3-methylbutanamide
  • (2s)-n-[4-((2s)-2-{(2s)-2-[(phenylmethoxy)carbonylamino]propanoylamino}-3-methylbutanoylamino)(1s,4s,2r,3r)-2,3-dihydroxy-5-phenyl-1-benzylpentyl]-2-{(2s)-2-[(phenylmethoxy)carbonylamino]propanoylamin
  • (2s)-n-[4-((2s)-2-{(2s)-2-[(phenylmethoxy)carbonylamino]propanoylamino}-3-methylbutanoylamino)(1s,4s,2r,3r)-2,3-dihydroxy-5-phenyl-1-benzylpentyl]-2-{(2s)-2-[(phenylmethoxy)carbonylamino]propanoylamino}-3-methylbutanamide
  • 3tl
  • n-[(1s)-2-[[(1s)-1-[[(1s,2r,3r,4s)-1-(benzyl)-4-[[(2s)-2-[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester
  • o}-3-methylbutanamide
  • phenylmethyl n-[(1s)-2-[[(1s)-1-[[(1s,2r,3r,4s)-2,3-dihydroxy-4-[[(2s)-3-methyl-2-[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s)-1-[[(2s,3r,4r,5s)-3,4-dihydroxy-5-[[(2s)-3-methyl-2-[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]amino]-1-oxo-propan-2-yl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s)-1-[[(2s,3r,4r,5s)-3,4-dihydroxy-5-[[(2s)-3-methyl-2-[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CAS Number(s)
  • 204907-85-7
InChIKey BJJPNOGMLLUCER-KUTQPOQPSA-N
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