({(2S,3S)-2-[({[(2S)-2-Amino-3-{[(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl]Oxy}Propanoyl]Amino}Acetyl)Amino]-3-Methylpentanoyl}Amino)Acetic Acid

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Properties Simple | Detailed

Formula C18H32N4O10
IUPAC Name 2-[[(2s,3s)-2-[[2-[[(2s)-2-amino-3-[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]acetic acid
Molecular Mass 464.467 g·mol−1
Heat of Formation -1943.2 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 540.96 Å 3
Surface Area 427.38 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s,3s)-2-[2-[[(2s)-2-amino-3-[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy-propanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]ethanoic acid
  • 2-[[(2s,3s)-2-[[2-[[(2s)-2-amino-1-oxo-3-[[(2r,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]propyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]acetic acid
  • 2-[[(2s,3s)-2-[[2-[[(2s)-2-amino-3-[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetic acid
  • 2-[[(2s,3s)-2-[[2-[[(2s)-2-amino-3-[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]acetic acid
  • xylopyranosyl-seryl-glycyl-isoleucyl-glycine
  • xylosyl-ser-gly-ile-gly
CAS Number(s)
  • 105678-35-1
InChIKey LRNLNKYLGOEADC-JHFPURAPSA-N
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