(2(S),5(S))-1,2,5,6-Tetradeoxy-2,5-Bis((3-Methyl-2-(((Methyl(2-Pyrimidinylmethyl)Amino)Carbonyl)Amino)-1-Oxobutyl)Amino)-1,6-Diphenyl-L-Altritol

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Properties Simple | Detailed

Formula C44H58N8O6
IUPAC Name (2s)-n-[(1s,2s,3r,4s)-1-benzyl-2,3-dihydroxy-4-[[(2s)-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide
Molecular Mass 794.981 g·mol−1
Heat of Formation -971.4 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 1000.32 Å 3
Surface Area 658.76 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s,2s,3r,4s)-1-(benzyl)-2,3-dihydroxy-4-[[(2s)-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butyramide
  • (2s)-n-[(1s,2s,3r,4s)-2,3-dihydroxy-4-[[(2s)-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butanoyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butanamide
  • (2s)-n-[(1s,2s,3r,4s)-2,3-dihydroxy-4-[[(2s)-3-methyl-2-[[(methyl-(2-pyridylmethyl)amino)-oxomethyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-[[(methyl-(2-pyridylmethyl)amino)-oxomethyl]amino]butanamide
  • (2s)-n-[(2s,3s,4r,5s)-3,4-dihydroxy-5-[[(2s)-3-methyl-2-[(methyl-(pyridin-2-ylmethyl)carbamoyl)amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-[(methyl-(pyridin-2-ylmethyl)carbamoyl)amino]butanamide
  • 1,2,5,6-tetradeoxy-2,5-bis[[3-methyl-2-[[methyl(2-pyridinylmethyl)amino]carbonyl]amino]-1-oxobutylamino]-1,6-diphenyl-l-altritol, (r,s)-
  • a 77003
  • a-77003
  • abbott 77003
  • abbott a77003
  • abt 77003
  • l-altritol, 1,2,5,6-tetradeoxy-2,5-bis(((2s)-3-methyl-2-(((methyl(2-pyrimidinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-
  • l-altritol, 1,2,5,6-tetradeoxy-2,5-bis((3-methyl-2-(((methyl(2-pyrimidinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-, (2(s),5(s))-
  • l-altritol, 1,2,5,6-tetradeoxy-2,5-bis[[(2s)-3-methyl-2-[[[methyl(2-pyridinylmethyl)amino]carbonyl]amino]-1-oxobutyl]amino]-1,6-diphenyl-
  • n-{1-benzyl-(2r,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
CAS Number(s)
  • 134878-17-4
InChIKey QPVWMQXBTCSLCB-BYAJYZPISA-N
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