Glycine, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl ester, 4-hydroxy-1,3-benzenedicarboxylate (1:1) (salt)

CAS Registry Number®

24557-75-3

CAS Name

Glycine, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl ester, 4-hydroxy-1,3-benzenedicarboxylate (1:1) (salt)

Molecular Formula

C14H18Cl2N2O6S.C8H6O5

Molecular Mass

595.41

Cite this Page

Glycine, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl ester, 4-hydroxy-1,3-benzenedicarboxylate (1:1) (salt).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24557-75-3 (retrieved 2025-04-03) (CAS RN: 24557-75-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H18Cl2N2O6S.C8H6O5/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);1-3,9H,(H,10,11)(H,12,13)/t10-,12-;/m1./s1

InChIKey

InChIKey=ROQRITDZGVFDNW-MHDYBILJSA-N

SMILES

[C@@H]([C@H](O)C1=CC=C(S(C)(=O)=O)C=C1)(NC(C(Cl)Cl)=O)COC(CN)=O.C(O)(=O)C1=CC(C(O)=O)=CC=C1O

Canonical SMILES

O=C(O)C1=CC=C(O)C(=C1)C(=O)O.O=C(OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)S(=O)(=O)C)CN

Other Names for this Substance

  • Glycine, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl ester, 4-hydroxy-1,3-benzenedicarboxylate (1:1) (salt)
  • Isophthalic acid, 4-hydroxy-, compd. with glycine α-ester with D-threo-2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]acetamide (1:1)
  • Acetamide, 2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]-, α-ester with glycine, 4-hydroxyisophthalate (1:1) (salt), D-threo-
  • Glycine, α-ester with D-threo-2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-(methylsulfonyl)phenethyl]acetamide, 4-hydroxyisophthalate (1:1) (salt)
  • 1,3-Benzenedicarboxylic acid, 4-hydroxy-, compd. with glycine (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl ester (1:1)

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