(2S)-3-[(2-Acetamido-2-Deoxy-α-D-Galactopyranosyl)Oxy]-2-Aminopropanoyl L-Serylglycinate

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Properties Simple | Detailed

Formula C16H28N4O11
IUPAC Name [2-[[(2s)-2-amino-3-hydroxy-propanoyl]amino]acetyl] (2s)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-amino-propanoate
Molecular Mass 452.414 g·mol−1
Heat of Formation -2061.8 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 507.09 Å 3
Surface Area 383.76 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-amino-propionic acid [2-[[(2s)-2-amino-3-hydroxy-propanoyl]amino]acetyl] ester
  • (2s)-3-[[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-aminopropanoic acid [2-[[(2s)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl] ester
  • 2-[[(2s)-2-amino-3-hydroxy-propanoyl]amino]ethanoyl (2s)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-amino-propanoate
  • [2-[[(2s)-2-amino-3-hydroxy-propanoyl]amino]acetyl] (2s)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-amino-propanoate
  • [2-[[(2s)-2-amino-3-hydroxypropanoyl]amino]acetyl] (2s)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoate
  • galnac-o-ser-ser-gly
  • glycine, n-(n-(o-(2-(acetylamino)-2-deoxy-alpha-d-galactopyranosyl)-l-seryl)-l-seryl)-
  • n-(n-(o-(2-(acetylamino)-2-deoxy-alpha-d-galactopyranosyl)-l-seryl)-l-seryl)glycine
  • n-acetylgalactosamine-o-seryl-seryl-glycine
  • supprescin a
CAS Number(s)
  • 143896-40-6
InChIKey UOOOFBAWVAQTJK-VSSKVTDTSA-N
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