((R)-1-((S)-2-(2,5-Dichlorobenzamido)-3-(2,4-dimethoxyphenyl)propanamido)-3-methylbutyl)boronic acid

ID: ALA3793107

Chembl Id: CHEMBL3793107

PubChem CID: 127029686

Max Phase: Preclinical

Molecular Formula: C23H29BCl2N2O6

Molecular Weight: 511.21

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COc1cc(C[C@H](NC(=O)c2cc(Cl)ccc2Cl)C(=O)N[C@@H](CC(C)C)B(O)O)cc(OC)c1

Standard InChI:  InChI=1S/C23H29BCl2N2O6/c1-13(2)7-21(24(31)32)28-23(30)20(10-14-8-16(33-3)12-17(9-14)34-4)27-22(29)18-11-15(25)5-6-19(18)26/h5-6,8-9,11-13,20-21,31-32H,7,10H2,1-4H3,(H,27,29)(H,28,30)/t20-,21-/m0/s1

Standard InChI Key:  AFBKWRDTLXKAPE-SFTDATJTSA-N

Alternative Forms

1. Parent:

   

   ALA3793107

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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: 511.21

Molecular Weight (Monoisotopic): 510.1496

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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