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

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Properties Simple | Detailed

Formula C44H58N8O6
IUPAC Name (2s)-n-[(1s,2r,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 -916.9 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 1010.09 Å 3
Surface Area 691.81 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s,2r,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,2r,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,2r,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,3r,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
  • 2,5-bis[(n-2-pyridylmethyl-n-methylamino)valyl-1,6-diphenyl-3,4-(r,r)-dihydroxyhexane
  • a 76889
  • a-76889
  • l-iditol, 1,2,5,6-tetradeoxy-2,5-bis((3-methyl-2-(((methyl(2-pyridinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-, (2(s)),5(s))-
  • n-{1-benzyl-(2r,3r)-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)
  • 137545-03-0
  • 134805-77-9
InChIKey QPVWMQXBTCSLCB-RRUVMKMCSA-N
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