O-[4,6-Di-O-acetyl-2-(acetylamino)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranosyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine

CAS Registry Number®

125760-33-0
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CAS Name

O-[4,6-Di-O-acetyl-2-(acetylamino)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranosyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine

Molecular Formula

C45H54N2O21

Molecular Mass

958.91

Cite this Page

O-[4,6-Di-O-acetyl-2-(acetylamino)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranosyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125760-33-0 (retrieved 2024-09-06) (CAS RN: 125760-33-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H54N2O21/c1-20(35(42(55)56)47-45(57)60-17-32-30-15-11-9-13-28(30)29-14-10-12-16-31(29)32)61-43-36(46-21(2)48)39(37(62-24(5)51)33(66-43)18-58-22(3)49)68-44-41(65-27(8)54)40(64-26(7)53)38(63-25(6)52)34(67-44)19-59-23(4)50/h9-16,20,32-41,43-44H,17-19H2,1-8H3,(H,46,48)(H,47,57)(H,55,56)/t20-,33-,34-,35+,36-,37+,38+,39-,40+,41-,43+,44+/m1/s1

InChIKey

InChIKey=ZSSXZUSKVRRKAI-UFQULINBSA-N

SMILES

O([C@@H]1[C@@H](NC(C)=O)[C@@H](O[C@@H]([C@H](NC(OCC2C=3C(C=4C2=CC=CC4)=CC=CC3)=O)C(O)=O)C)O[C@H](COC(C)=O)[C@@H]1OC(C)=O)[C@H]5[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O5

Canonical SMILES

O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)C(OC4OC(COC(=O)C)C(OC(=O)C)C(OC5OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C5OC(=O)C)C4NC(=O)C)C

Other Names for this Substance

  • L-Threonine, O-[4,6-di-O-acetyl-2-(acetylamino)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranosyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • O-[4,6-Di-O-acetyl-2-(acetylamino)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranosyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine

Deleted or Replaced CAS Registry Numbers

1347760-83-1