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

ID: ALA3794303

Chembl Id: CHEMBL3794303

PubChem CID: 127030040

Max Phase: Preclinical

Molecular Formula: C26H39BN2O4

Molecular Weight: 454.42

Molecule Type: Small molecule

Names and Identifiers

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

Standard InChI:  InChI=1S/C26H39BN2O4/c1-6-7-13-23(27-32-22-16-19-15-21(25(19,3)4)26(22,5)33-27)29-24(31)20(28-17(2)30)14-18-11-9-8-10-12-18/h8-12,19-23H,6-7,13-16H2,1-5H3,(H,28,30)(H,29,31)/t19-,20-,21-,22?,23-,26-/m0/s1

Standard InChI Key:  XSXHWPFYTPGUNA-VZGVYENOSA-N

Alternative Forms

1. Parent:

   

   ALA3794303

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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