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

ID: ALA3793665

Chembl Id: CHEMBL3793665

PubChem CID: 127030044

Max Phase: Preclinical

Molecular Formula: C32H43BN2O6

Molecular Weight: 562.52

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

Standard InChI:  InChI=1S/C32H43BN2O6/c1-30(2,3)39-29(38)34-24(16-21-12-14-23(36)15-13-21)28(37)35-27(17-20-10-8-7-9-11-20)33-40-26-19-22-18-25(31(22,4)5)32(26,6)41-33/h7-15,22,24-27,36H,16-19H2,1-6H3,(H,34,38)(H,35,37)/t22-,24-,25-,26?,27-,32-/m0/s1

Standard InChI Key:  OGSKLMYKNBMBRW-CYRDHSCOSA-N

Alternative Forms

1. Parent:

   

   ALA3793665

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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: 562.52

Molecular Weight (Monoisotopic): 562.3214

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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