(S)-2-((S)-2-((S)-1-((6S,9S,12S,15S)-1-amino-9,15-dibenzyl-1-imino-12-isobutyl-18,18-dimethyl-22-nicotinoyl-8,11,14,17,20,24-hexaoxo-2,7,10,13,16,19,22,25-octaazahentetracontanecarbonyl)pyrrolidine-2-carboxamido)-5-guanidinopentanamido)succinamide

ID: ALA3759820

Chembl Id: CHEMBL3759820

PubChem CID: 127029245

Max Phase: Preclinical

Molecular Formula: C75H117N19O12

Molecular Weight: 1476.88

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCCCCCCCCCCCCCCCNC(=O)CN(CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)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(N)=O)C(=O)c1cccnc1

Standard InChI:  InChI=1S/C75H117N19O12/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-39-83-62(96)48-93(70(104)53-34-26-38-82-47-53)49-63(97)92-75(4,5)72(106)91-59(45-52-32-23-20-24-33-52)68(102)89-57(43-50(2)3)66(100)90-58(44-51-30-21-19-22-31-51)67(101)87-55(36-28-41-85-74(80)81)71(105)94-42-29-37-60(94)69(103)86-54(35-27-40-84-73(78)79)65(99)88-56(64(77)98)46-61(76)95/h19-24,26,30-34,38,47,50,54-60H,6-18,25,27-29,35-37,39-46,48-49H2,1-5H3,(H2,76,95)(H2,77,98)(H,83,96)(H,86,103)(H,87,101)(H,88,99)(H,89,102)(H,90,100)(H,91,106)(H,92,97)(H4,78,79,84)(H4,80,81,85)/t54-,55-,56-,57-,58-,59-,60-/m0/s1

Standard InChI Key:  WLCCAYLWTHJGKL-NRNPVHEPSA-N

Alternative Forms

1. Parent:

   

   ALA3759820

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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: 1476.88

Molecular Weight (Monoisotopic): 1475.9129

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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