(S)-N1-(1-amino-2-methyl-1-oxopropan-2-yl)-2-((S)-2-((S)-1-((6S,9S,12S,15S)-1,18-diamino-9,15-dibenzyl-1-imino-12-isobutyl-18-methyl-8,11,14,17-tetraoxo-2,7,10,13,16-pentaazanonadecanecarbonyl)pyrrolidine-2-carboxamido)-5-guanidinopentanamido)succinamide

ID: ALA3758687

Chembl Id: CHEMBL3758687

PubChem CID: 127026693

Max Phase: Preclinical

Molecular Formula: C53H83N17O10

Molecular Weight: 1118.36

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NC(C)(C)C(N)=O

Standard InChI:  InChI=1S/C53H83N17O10/c1-30(2)26-35(65-44(75)37(68-49(80)52(3,4)60)28-32-18-11-8-12-19-32)42(73)66-36(27-31-16-9-7-10-17-31)43(74)64-34(21-14-24-62-51(58)59)47(78)70-25-15-22-39(70)46(77)63-33(20-13-23-61-50(56)57)41(72)67-38(29-40(54)71)45(76)69-53(5,6)48(55)79/h7-12,16-19,30,33-39H,13-15,20-29,60H2,1-6H3,(H2,54,71)(H2,55,79)(H,63,77)(H,64,74)(H,65,75)(H,66,73)(H,67,72)(H,68,80)(H,69,76)(H4,56,57,61)(H4,58,59,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1

Standard InChI Key:  PJEHVZMSSMHRIX-ZTYVOHGWSA-N

Alternative Forms

1. Parent:

   

   ALA3758687

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1118.36

Molecular Weight (Monoisotopic): 1117.6509

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References

1. Micewicz ED, Bahattab OS, Willars GB, Waring AJ, Navab M, Whitelegge JP, McBride WH, Ruchala P..  (2015)  Small lipidated anti-obesity compounds derived from neuromedin U.,  101  [PMID:26204509] [10.1016/j.ejmech.2015.07.020]

Source

Source(1):

• Scientific Literature