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

ID: ALA3759206

Chembl Id: CHEMBL3759206

PubChem CID: 126558991

Max Phase: Preclinical

Molecular Formula: C69H114N18O11

Molecular Weight: 1371.79

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCCCCCCCCCCCCCCCNC(=O)CNCC(=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/C69H114N18O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-36-77-57(89)44-76-45-58(90)86-69(4,5)66(98)85-54(42-48-31-23-20-24-32-48)63(95)83-52(40-46(2)3)61(93)84-53(41-47-29-21-19-22-30-47)62(94)81-50(34-27-38-79-68(74)75)65(97)87-39-28-35-55(87)64(96)80-49(33-26-37-78-67(72)73)60(92)82-51(59(71)91)43-56(70)88/h19-24,29-32,46,49-55,76H,6-18,25-28,33-45H2,1-5H3,(H2,70,88)(H2,71,91)(H,77,89)(H,80,96)(H,81,94)(H,82,92)(H,83,95)(H,84,93)(H,85,98)(H,86,90)(H4,72,73,78)(H4,74,75,79)/t49-,50-,51-,52-,53-,54-,55-/m0/s1

Standard InChI Key:  FMLNZTDPRUXRKS-DKKXDTQASA-N

Alternative Forms

1. Parent:

   

   ALA3759206

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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: 1371.79

Molecular Weight (Monoisotopic): 1370.8914

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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