(2S,7S)-2-Amino-7-(propionylamino)octanedioyl-bis(Tyr-Arg-Leu-Arg-Tyr-amide)

ID: ALA4549208

Chembl Id: CHEMBL4549208

PubChem CID: 155549336

Max Phase: Preclinical

Molecular Formula: C83H128N26O17

Molecular Weight: 1762.10

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CCC(=O)N[C@H](CCCC[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](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)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](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

Standard InChI:  InChI=1S/C83H128N26O17/c1-6-67(114)99-56(71(118)109-66(44-50-25-33-54(113)34-26-50)79(126)103-60(18-12-38-98-83(93)94)75(122)108-64(40-46(4)5)77(124)101-58(16-10-36-96-81(89)90)73(120)105-62(69(86)116)42-48-21-29-52(111)30-22-48)14-8-7-13-55(84)70(117)106-65(43-49-23-31-53(112)32-24-49)78(125)102-59(17-11-37-97-82(91)92)74(121)107-63(39-45(2)3)76(123)100-57(15-9-35-95-80(87)88)72(119)104-61(68(85)115)41-47-19-27-51(110)28-20-47/h19-34,45-46,55-66,110-113H,6-18,35-44,84H2,1-5H3,(H2,85,115)(H2,86,116)(H,99,114)(H,100,123)(H,101,124)(H,102,125)(H,103,126)(H,104,119)(H,105,120)(H,106,117)(H,107,121)(H,108,122)(H,109,118)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t55-,56-,57-,58+,59-,60+,61-,62+,63-,64+,65-,66+/m1/s1

Standard InChI Key:  QJZDTDUMJIUCEP-DHVYHOMASA-N

Alternative Forms

1. Parent:

   

   ALA4549208

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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: 1762.10

Molecular Weight (Monoisotopic): 1760.9951

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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