(S)-2-((S)-2-((S)-1-((6S,9S,12S,15S)-1-amino-9,15-dibenzyl-1-imino-12-isobutyl-18,18-dimethyl-8,11,14,17,20,60-hexaoxo-23,26,29,32,35,38,41,44,47,50,53,56-dodecaoxa-2,7,10,13,16,19,59-heptaazapentaheptacontanecarbonyl)pyrrolidine-2-carboxamido)-5-guanidinopentanamido)succinamide

ID: ALA4299242

Chembl Id: CHEMBL4299242

PubChem CID: 145948899

Max Phase: Preclinical

Molecular Formula: C92H159N17O23

Molecular Weight: 1871.38

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=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

Standard InChI:  InChI=1S/C92H159N17O23/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-35-80(111)99-39-42-122-44-46-124-48-50-126-52-54-128-56-58-130-60-62-132-64-63-131-61-59-129-57-55-127-53-51-125-49-47-123-45-43-121-41-36-81(112)108-92(4,5)89(120)107-77(67-71-30-22-19-23-31-71)86(117)105-75(65-69(2)3)84(115)106-76(66-70-28-20-18-21-29-70)85(116)103-73(33-26-38-101-91(97)98)88(119)109-40-27-34-78(109)87(118)102-72(32-25-37-100-90(95)96)83(114)104-74(82(94)113)68-79(93)110/h18-23,28-31,69,72-78H,6-17,24-27,32-68H2,1-5H3,(H2,93,110)(H2,94,113)(H,99,111)(H,102,118)(H,103,116)(H,104,114)(H,105,117)(H,106,115)(H,107,120)(H,108,112)(H4,95,96,100)(H4,97,98,101)/t72-,73-,74-,75-,76-,77+,78-/m0/s1

Standard InChI Key:  ZBCRTODNNIGSBA-GDZWLLOJSA-N

Alternative Forms

1. Parent:

   

   ALA4299242

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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: 1871.38

Molecular Weight (Monoisotopic): 1870.1795

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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