N-[3-[(2,3-di-O-Sulfo-beta-D-glucopyranosyluronicacid)-(1->3)-(2-acetamido-2-deoxy-alpha-D-galactopyranosyl)-(1->6)-(1-deoxy-D-glucitol-1-yl)amino]phenyl]-DL-alpha-lipoamide trisodium

ID: ALA3397493

Chembl Id: CHEMBL3397493

PubChem CID: 118726743

Max Phase: Preclinical

Molecular Formula: C34H50N3Na3O23S4

Molecular Weight: 1000.06

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(=O)N[C@H]1[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc2cccc(NC(=O)CCCCC3CCSS3)c2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Standard InChI:  InChI=1S/C34H53N3O23S4.3Na/c1-15(39)36-23-28(57-34-31(60-64(52,53)54)29(59-63(49,50)51)27(46)30(58-34)32(47)48)26(45)21(13-38)56-33(23)55-14-20(41)25(44)24(43)19(40)12-35-16-5-4-6-17(11-16)37-22(42)8-3-2-7-18-9-10-61-62-18;;;/h4-6,11,18-21,23-31,33-35,38,40-41,43-46H,2-3,7-10,12-14H2,1H3,(H,36,39)(H,37,42)(H,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/t18?,19-,20+,21+,23+,24+,25+,26-,27-,28+,29-,30-,31+,33-,34+;;;/m0.../s1

Standard InChI Key:  XGUBXZPIKOZYSB-MAXHMUQGSA-K

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1000.06

Molecular Weight (Monoisotopic): 999.1953

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References

1. Wakao M, Obata R, Miyachi K, Kaitsubata Y, Kondo T, Sakami C, Suda Y..  (2015)  Synthesis of a chondroitin sulfate disaccharide library and a GAG-binding protein interaction analysis.,  25  (7): [PMID:25765912] [10.1016/j.bmcl.2015.02.054]

Source

Source(1):

• Scientific Literature