N-{3-{[(beta-D-glucopyranosyl)uronicacid)-(1->3)-(2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranosyl)-(1->4)-[(beta-D-glucopyranosyl)uronicacid]-(1->3)-(2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranosyl)-(1->6)-(1-deoxy-D-glucitol-1-yl)amino}phenyl}-DL-alpha-lipoamide tetrasodium

ID: ALA3409457

Chembl Id: CHEMBL3409457

PubChem CID: 118731630

Max Phase: Preclinical

Molecular Formula: C48H70N4Na4O40S6

Molecular Weight: 1539.51

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc4cccc(NC(=O)CCCCC5CCSS5)c4)O[C@H](COS(=O)(=O)[O-])[C@@H]3OS(=O)(=O)[O-])O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O.[Na+].[Na+].[Na+].[Na+]

Standard InChI:  InChI=1S/C48H74N4O40S6.4Na/c1-17(53)50-27-38(36(91-97(75,76)77)24(15-82-95(69,70)71)84-45(27)81-14-23(56)30(59)29(58)22(55)13-49-19-6-5-7-20(12-19)52-26(57)9-4-3-8-21-10-11-93-94-21)86-48-35(64)33(62)40(42(90-48)44(67)68)88-46-28(51-18(2)54)39(87-47-34(63)31(60)32(61)41(89-47)43(65)66)37(92-98(78,79)80)25(85-46)16-83-96(72,73)74;;;;/h5-7,12,21-25,27-42,45-49,55-56,58-64H,3-4,8-11,13-16H2,1-2H3,(H,50,53)(H,51,54)(H,52,57)(H,65,66)(H,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;/q;4*+1/p-4/t21?,22-,23+,24+,25+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41-,42-,45+,46-,47+,48+;;;;/m0..../s1

Standard InChI Key:  FNXXLAGTPNBIFB-ANKYXIDBSA-J

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: 1539.51

Molecular Weight (Monoisotopic): 1538.2204

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References

1. Miyachi K, Wakao M, Suda Y..  (2015)  Syntheses of chondroitin sulfate tetrasaccharide structures containing 4,6-disulfate patterns and analysis of their interaction with glycosaminoglycan-binding protein.,  25  (7): [PMID:25752983] [10.1016/j.bmcl.2015.02.011]

Source

Source(1):

• Scientific Literature