{(S)-3-Methyl-1-[(R)-1-((1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-pentylcarbamoyl]-butyl}-carbamic acid tert-butyl ester

ID: ALA3793633

Chembl Id: CHEMBL3793633

PubChem CID: 127028490

Max Phase: Preclinical

Molecular Formula: C26H47BN2O5

Molecular Weight: 478.48

Molecule Type: Small molecule

Names and Identifiers

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

Standard InChI:  InChI=1S/C26H47BN2O5/c1-10-11-12-21(27-33-20-15-17-14-19(25(17,7)8)26(20,9)34-27)29-22(30)18(13-16(2)3)28-23(31)32-24(4,5)6/h16-21H,10-15H2,1-9H3,(H,28,31)(H,29,30)/t17-,18-,19-,20?,21-,26-/m0/s1

Standard InChI Key:  UWJYWRHUTFELAL-NYOZYDQVSA-N

Alternative Forms

1. Parent:

   

   ALA3793633

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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: 478.48

Molecular Weight (Monoisotopic): 478.3578

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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