(1S)-1,5-Anhydro-1-[(S)-Carboxy(L-Tyrosylamino)Methyl]-6-Deoxy-D-Galactitol

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Properties Simple | Detailed

Formula C17H24N2O8
IUPAC Name (2s)-2-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]acetic acid
Molecular Mass 384.381 g·mol−1
Heat of Formation -1458.3 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 449.8 Å 3
Surface Area 371.81 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]acetic acid
  • (2s)-2-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]ethanoic acid
  • (2s)-2-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]acetic acid
  • (2s)-2-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetic acid
  • [2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)- acetic acid
  • sb-284485
InChIKey KUCHJUZRDGYEDY-HRNUQJICSA-N
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