3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid

CAS Registry Number®

77674-99-8

CAS Name

3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid

Molecular Formula

C20H28N2O8

Molecular Mass

424.44

Cite this Page

3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77674-99-8 (retrieved 2024-11-22) (CAS RN: 77674-99-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    134-135 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1

InChIKey

InChIKey=LOXFXXGTOVWWQV-YKRRISCLSA-N

SMILES

O=C1C=2C(C[C@@]([C@@H](NC([C@H]([C@H]([C@H](CC(O)=O)N)O)O)=O)CC(C)C)(O1)[H])=CC=CC2O

Canonical SMILES

O=C(O)CC(N)C(O)C(O)C(=O)NC(CC(C)C)C1OC(=O)C=2C(O)=CC=CC2C1

Other Names for this Substance

  • D-ribo-Hexonic acid, 3-amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-
  • D-ribo-Hexar-6-amic acid, 3-amino-2,3-dideoxy-N-[1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]-, [S-(R*,R*)]-
  • 3-Amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-D-ribo-hexonic acid
  • AI 77B
  • Amicoumacin B

Deleted or Replaced CAS Registry Numbers

82768-33-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration