(3S,3'S,4S,4'S)-1,1'-terephthaloylbis(N3,N4-didecylpyrrolidine-3,4-dicarboxamide)

ID: ALA5277072

Chembl Id: CHEMBL5277072

Max Phase: Preclinical

Molecular Formula: C60H104N6O6

Molecular Weight: 1005.53

Names and Identifiers

Canonical SMILES:  CCCCCCCCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)NCCCCCCCCCC)[C@H](C(=O)NCCCCCCCCCC)C3)cc2)C[C@H]1C(=O)NCCCCCCCCCC

Standard InChI:  InChI=1S/C60H104N6O6/c1-5-9-13-17-21-25-29-33-41-61-55(67)51-45-65(46-52(51)56(68)62-42-34-30-26-22-18-14-10-6-2)59(71)49-37-39-50(40-38-49)60(72)66-47-53(57(69)63-43-35-31-27-23-19-15-11-7-3)54(48-66)58(70)64-44-36-32-28-24-20-16-12-8-4/h37-40,51-54H,5-36,41-48H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t51-,52-,53-,54-/m1/s1

Standard InChI Key:  MIQXEUNJNAPLFC-DOLHKDQQSA-N

Alternative Forms

1. Parent:

   

   ALA5277072

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1005.53

Molecular Weight (Monoisotopic): 1004.8017

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References

1. Kaur A, Kaushik D, Piplani S, Mehta SK, Petrovsky N, Salunke DB..  (2021)  TLR2 Agonistic Small Molecules: Detailed Structure-Activity Relationship, Applications, and Future Prospects.,  64  (1.0): [PMID:33346636] [10.1021/acs.jmedchem.0c01627]

Source

Source(1):

• Scientific Literature