Octanedioyl-bis(Tyr-Arg-Leu-Ala-Tyr-amide)

ID: ALA4581302

Chembl Id: CHEMBL4581302

PubChem CID: 155561277

Max Phase: Preclinical

Molecular Formula: C74H109N19O16

Molecular Weight: 1520.80

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

Standard InChI:  InChI=1S/C74H109N19O16/c1-40(2)34-57(69(106)84-42(5)64(101)89-55(62(76)99)36-44-16-24-48(94)25-17-44)92-67(104)53(13-10-32-82-73(78)79)87-71(108)59(38-46-20-28-50(96)29-21-46)86-61(98)15-9-7-8-12-52(75)66(103)91-60(39-47-22-30-51(97)31-23-47)72(109)88-54(14-11-33-83-74(80)81)68(105)93-58(35-41(3)4)70(107)85-43(6)65(102)90-56(63(77)100)37-45-18-26-49(95)27-19-45/h16-31,40-43,52-60,94-97H,7-15,32-39,75H2,1-6H3,(H2,76,99)(H2,77,100)(H,84,106)(H,85,107)(H,86,98)(H,87,108)(H,88,109)(H,89,101)(H,90,102)(H,91,103)(H,92,104)(H,93,105)(H4,78,79,82)(H4,80,81,83)/t42-,43-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1

Standard InChI Key:  SDXFRAOZSUERSZ-DFWPTFNMSA-N

Alternative Forms

1. Parent:

   

   ALA4581302

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1520.80

Molecular Weight (Monoisotopic): 1519.8300

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References

1. Kuhn KK, Ertl T, Dukorn S, Keller M, Bernhardt G, Reiser O, Buschauer A..  (2016)  High Affinity Agonists of the Neuropeptide Y (NPY) Y4 Receptor Derived from the C-Terminal Pentapeptide of Human Pancreatic Polypeptide (hPP): Synthesis, Stereochemical Discrimination, and Radiolabeling.,  59  (13): [PMID:27223253] [10.1021/acs.jmedchem.6b00309]

Source

Source(1):

• Scientific Literature