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

ID: ALA3792846

Chembl Id: CHEMBL3792846

PubChem CID: 127028492

Max Phase: Preclinical

Molecular Formula: C30H47BN2O5

Molecular Weight: 526.53

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cc1ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)B2OC3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cc1

Standard InChI:  InChI=1S/C30H47BN2O5/c1-18(2)14-22(32-27(35)36-28(4,5)6)26(34)33-25(15-20-12-10-19(3)11-13-20)31-37-24-17-21-16-23(29(21,7)8)30(24,9)38-31/h10-13,18,21-25H,14-17H2,1-9H3,(H,32,35)(H,33,34)/t21-,22-,23-,24?,25-,30-/m0/s1

Standard InChI Key:  PDAIXYDCUZJLMT-KQTUKGSWSA-N

Alternative Forms

1. Parent:

   

   ALA3792846

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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: 526.53

Molecular Weight (Monoisotopic): 526.3578

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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