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

ID: ALA3793068

Chembl Id: CHEMBL3793068

PubChem CID: 127030043

Max Phase: Preclinical

Molecular Formula: C29H45BN2O6

Molecular Weight: 528.50

Molecule Type: Small molecule

Names and Identifiers

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

Standard InChI:  InChI=1S/C29H45BN2O6/c1-17(2)13-24(30-37-23-16-19-15-22(28(19,6)7)29(23,8)38-30)32-25(34)21(31-26(35)36-27(3,4)5)14-18-9-11-20(33)12-10-18/h9-12,17,19,21-24,33H,13-16H2,1-8H3,(H,31,35)(H,32,34)/t19-,21-,22-,23?,24-,29-/m0/s1

Standard InChI Key:  ZWUVSPLJVCHCGK-KXXSVDKISA-N

Alternative Forms

1. Parent:

   

   ALA3793068

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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: 528.50

Molecular Weight (Monoisotopic): 528.3371

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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