{(S)-3-Methyl-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]-butyl}-carbamic acid tert-butyl ester

ID: ALA3793010

Chembl Id: CHEMBL3793010

PubChem CID: 127028491

Max Phase: Preclinical

Molecular Formula: C29H45BN2O5

Molecular Weight: 512.50

Molecule Type: Small molecule

Names and Identifiers

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

Standard InChI:  InChI=1S/C29H45BN2O5/c1-18(2)14-21(31-26(34)35-27(3,4)5)25(33)32-24(15-19-12-10-9-11-13-19)30-36-23-17-20-16-22(28(20,6)7)29(23,8)37-30/h9-13,18,20-24H,14-17H2,1-8H3,(H,31,34)(H,32,33)/t20-,21-,22-,23?,24-,29-/m0/s1

Standard InChI Key:  SVFZUXKMVYZIKB-RIXBUFSBSA-N

Alternative Forms

1. Parent:

   

   ALA3793010

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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: 512.50

Molecular Weight (Monoisotopic): 512.3422

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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