N-{1-[(2R,5S,6R)-5-{[4,6-Dideoxy-4-(Dimethylamino)-α-D-Glucopyranosyl]Oxy}-6-Methyltetrahydro-2H-Pyran-2-Yl]-2-Oxo-1,2-Dihydro-4-Pyrimidinyl}-4-[(2-Methyl-L-Seryl)Amino]Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C29H42N6O9
IUPAC Name 4-[[(2s)-2-amino-3-hydroxy-2-methyl-propanoyl]amino]-n-[1-[(2r,5s,6r)-5-[(2r,3r,4s,5s,6r)-5-(dimethylamino)-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
Molecular Mass 618.679 g·mol−1
Heat of Formation -1482.1 ± 16.7 kJ·mol−1
Dipole Moment 7.35 ± 1.08 D
Volume 725.61 Å 3
Surface Area 601.33 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(2s)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-n-[1-[(2r,5s,6r)-5-[[(2r,3r,4s,5s,6r)-5-dimethylamino-3,4-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6-methyl-2-tetrahydropyranyl]-2-oxo-4-pyrimidinyl]benzamide
  • 4-[[(2s)-2-amino-3-hydroxy-2-methyl-propanoyl]amino]-n-[1-[(2r,5s,6r)-5-[(2r,3r,4s,5s,6r)-5-dimethylamino-3,4-dihydroxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
  • 4-[[(2s)-2-amino-3-hydroxy-2-methyl-propanoyl]amino]-n-[1-[(2r,5s,6r)-5-[(2r,3r,4s,5s,6r)-5-dimethylamino-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]-2-keto-pyrimidin-4-yl]benzamide
  • 4-[[(2s)-2-amino-3-hydroxy-2-methyl-propanoyl]amino]-n-[1-[(2r,5s,6r)-5-[(2r,3r,4s,5s,6r)-5-dimethylamino-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
  • 4-[[(2s)-2-amino-3-hydroxy-2-methylpropanoyl]amino]-n-[1-[(2r,5s,6r)-5-[(2r,3r,4s,5s,6r)-5-dimethylamino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
  • allomycin (van)
  • amicetin (van)
  • amicetin-a
  • benzamide, 4-((2-amino-3-hydroxy-2-methyl-1-oxopropyl)amino)-n-(1-(5-((4,6-dideoxy-4-(dimethylamino)-alpha-d-glucopyranosyl)oxy)-tet
  • d-13
  • hydracrylanilide, 2-amino-4'-((1,2-dihydro-2-oxo-1-(2,3,6-trideoxy-4-o-(4,6-dideoxy-4-(dimethylamino)-alpha-d-glucopyranosyl)-beta-d-erythro-hexopyranosyl)-4-pyrimidinyl)carbamoyl)-2-methyl- (van) (8ci)
  • sacromycin (van)
  • u-4761
InChIKey HDNVYHWHCVTDIV-ZENIWSRCSA-N
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