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Substance Name: 3-O-(2-Acetamido-2-deoxygalactopyranosyl)-acetyl-threonyl-alanyl-alanine methyl ester
RN: 125316-77-0
InChIKey: QFTWCPDZXGYNJL-FZKFWNPXSA-N

Note

  • Mucin type model glycopeptide of antifreeze glycoprotein.

Molecular Formula

  • C21-H36-N4-O11

Molecular Weight

  • 520.532
 
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Names and Synonyms

Name of Substance

  • 3-O-(2-Acetamido-2-deoxygalactopyranosyl)-acetyl-threonyl-alanyl-alanine methyl ester

Synonyms

  • Ac-Thr(alpha-galnac)-ala-ala-ome
  • Atgaaam
  • N-(N-(N-Acetyl-O-(2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl)-L-threonyl)-L-alanyl)-L-alanine methyl ester

Systematic Name

  • L-Alanine, N-(N-(N-acetyl-O-(2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl)-L-threonyl)-L-alanyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 125316-77-0

System Generated Number

  • 0125316770

Structure Descriptors

InChI

1S/C21H36N4O11/c1-8(18(31)23-9(2)20(33)34-6)22-19(32)14(24-11(4)27)10(3)35-21-15(25-12(5)28)17(30)16(29)13(7-26)36-21/h8-10,13-17,21,26,29-30H,7H2,1-6H3,(H,22,32)(H,23,31)(H,24,27)(H,25,28)/t8-,9-,10+,13+,14-,15+,16-,17+,21-/m0/s1

InChIKey

QFTWCPDZXGYNJL-FZKFWNPXSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC(=O)C)[C@@H](C)O[C@@H]1[C@@H]([C@@H](O)[C@@H](O)[C@H](O1)CO)NC(=O)C)=O)C)=O)C)(=O)OC