(S)-2-((S)-1-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-((S)-4-amino-2-((S)-3-hydroxy-2-((S)-1-((S)-pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)propanamido)-4-oxobutanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)-5-guanidinopentanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)propanoic acid

ID: ALA5205264

Chembl Id: CHEMBL5205264

PubChem CID: 168297798

Max Phase: Preclinical

Molecular Formula: C51H79N15O14

Molecular Weight: 1126.28

Names and Identifiers

Canonical SMILES:  C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O

Standard InChI:  InChI=1S/C51H79N15O14/c1-28(50(79)80)57-41(70)33-12-5-21-62(33)47(76)36-15-7-23-64(36)45(74)30(11-3-19-56-51(53)54)58-42(71)35-14-6-22-63(35)48(77)38-17-9-25-66(38)49(78)37-16-8-24-65(37)46(75)31(26-39(52)68)59-40(69)32(27-67)60-43(72)34-13-4-20-61(34)44(73)29-10-2-18-55-29/h28-38,55,67H,2-27H2,1H3,(H2,52,68)(H,57,70)(H,58,71)(H,59,69)(H,60,72)(H,79,80)(H4,53,54,56)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1

Standard InChI Key:  WGHFIWNYWFTLIJ-HTRMHDHBSA-N

Alternative Forms

1. Parent:

   

   ALA5205264

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1126.28

Molecular Weight (Monoisotopic): 1125.5931

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References

1. Garsi JB, Komjáti B, Cullia G, Fejes I, Sipos M, Sipos Z, Fördős E, Markacz P, Balázs B, Lancelot N, Berger S, Raimbaud E, Brown D, Vuillard LM, Haberkorn L, Cukier C, Szlávik Z, Hanessian S..  (2022)  Targeting NOX2 via p47/phox-p22/phox Inhibition with Novel Triproline Mimetics.,  13  (6.0): [PMID:35707140] [10.1021/acsmedchemlett.2c00094]

Source

Source(1):

• Scientific Literature