(S)-2-acetamido-N4-(4-(benzyloxy)butyl)-N1-((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)succinamide

ID: ALA3237873

Chembl Id: CHEMBL3237873

PubChem CID: 90655055

Max Phase: Preclinical

Molecular Formula: C32H50BN3O6

Molecular Weight: 583.58

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(=O)N[C@@H](CC(=O)NCCCCOCc1ccccc1)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

Standard InChI:  InChI=1S/C32H50BN3O6/c1-21(2)16-28(33-41-27-18-24-17-26(31(24,4)5)32(27,6)42-33)36-30(39)25(35-22(3)37)19-29(38)34-14-10-11-15-40-20-23-12-8-7-9-13-23/h7-9,12-13,21,24-28H,10-11,14-20H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t24-,25-,26-,27+,28-,32-/m0/s1

Standard InChI Key:  ODIWGDQSSAWSIL-GKWCIWIWSA-N

Alternative Forms

1. Parent:

   

   ALA3237873

   (2S)-2-acetamido-N-[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]-N'-(4-phenylmethoxybutyl)butanediamide

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: 583.58

Molecular Weight (Monoisotopic): 583.3793

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References

1. Kawamura S, Unno Y, Asai A, Arisawa M, Shuto S..  (2014)  Structurally novel highly potent proteasome inhibitors created by the structure-based hybridization of nonpeptidic belactosin derivatives and peptide boronates.,  57  (6): [PMID:24524217] [10.1021/jm500045x]

Source

Source(1):

• Scientific Literature