(4R)-4-{[(2S)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-4-Yl]Oxy}Propanoyl]Amino}Propanoyl]Amino}-5-Amino-5-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C19H32N4O11
IUPAC Name (4r)-4-[[(2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoic acid
Molecular Mass 492.478 g·mol−1
Heat of Formation -2175.3 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 597.22 Å 3
Surface Area 460.91 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[[(2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoic acid
  • (4r)-4-[[(2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid
  • (4r)-4-[[(2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoic acid
  • (4r)-4-[[(2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-keto-valeric acid
  • (4r)-4-[[(2s)-2-[[(2r)-2-[[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-5-oxopentanoic acid
InChIKey BSOQXXWZTUDTEL-PUFOHHGRSA-N
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