(S)-2-Acetylamino-N-[(R)-3-methyl-1-((1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-butyl]-3-phenyl-propionamide

ID: ALA3792573

Chembl Id: CHEMBL3792573

PubChem CID: 127030041

Max Phase: Preclinical

Molecular Formula: C26H39BN2O4

Molecular Weight: 454.42

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

Standard InChI:  InChI=1S/C26H39BN2O4/c1-16(2)12-23(27-32-22-15-19-14-21(25(19,4)5)26(22,6)33-27)29-24(31)20(28-17(3)30)13-18-10-8-7-9-11-18/h7-11,16,19-23H,12-15H2,1-6H3,(H,28,30)(H,29,31)/t19-,20-,21-,22?,23-,26-/m0/s1

Standard InChI Key:  CHTMBEYPNJVOLP-VZGVYENOSA-N

Alternative Forms

1. Parent:

   

   ALA3792573

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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: 454.42

Molecular Weight (Monoisotopic): 454.3003

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References

1. Lei M, Feng H, Wang C, Li H, Shi J, Wang J, Liu Z, Chen S, Hu S, Zhu Y..  (2016)  3D-QSAR-aided design, synthesis, in vitro and in vivo evaluation of dipeptidyl boronic acid proteasome inhibitors and mechanism studies.,  24  (11): [PMID:27117691] [10.1016/j.bmc.2016.04.025]

Source

Source(1):

• Scientific Literature