(S)-N1-(1-amino-2-methyl-1-oxopropan-2-yl)-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-pentaoxo-2,7,10,13,16,19-hexaazapentatriacontanecarbonyl)pyrrolidine-2-carboxamido)-5-guanidinopentanamido)succinamide

ID: ALA3759773

Chembl Id: CHEMBL3759773

PubChem CID: 127028944

Max Phase: Preclinical

Molecular Formula: C69H113N17O11

Molecular Weight: 1356.77

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCCCCCCCCCCCCCCC(=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(=O)NC(C)(C)C(N)=O

Standard InChI:  InChI=1S/C69H113N17O11/c1-8-9-10-11-12-13-14-15-16-17-18-19-26-37-56(88)84-69(6,7)65(97)83-52(43-47-32-24-21-25-33-47)60(92)80-50(41-45(2)3)58(90)81-51(42-46-30-22-20-23-31-46)59(91)79-49(35-28-39-77-67(74)75)63(95)86-40-29-36-54(86)62(94)78-48(34-27-38-76-66(72)73)57(89)82-53(44-55(70)87)61(93)85-68(4,5)64(71)96/h20-25,30-33,45,48-54H,8-19,26-29,34-44H2,1-7H3,(H2,70,87)(H2,71,96)(H,78,94)(H,79,91)(H,80,92)(H,81,90)(H,82,89)(H,83,97)(H,84,88)(H,85,93)(H4,72,73,76)(H4,74,75,77)/t48-,49-,50-,51-,52-,53-,54-/m0/s1

Standard InChI Key:  BQKHKFBGGPNPLK-NHTIQBDDSA-N

Alternative Forms

1. Parent:

   

   ALA3759773

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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: 1356.77

Molecular Weight (Monoisotopic): 1355.8805

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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