{(S)-2-(1H-Indol-3-yl)-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 benzyl ester

ID: ALA3794482

Chembl Id: CHEMBL3794482

PubChem CID: 127028814

Max Phase: Preclinical

Molecular Formula: C34H44BN3O5

Molecular Weight: 585.55

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

Standard InChI:  InChI=1S/C34H44BN3O5/c1-21(2)15-30(35-42-29-18-24-17-28(33(24,3)4)34(29,5)43-35)38-31(39)27(16-23-19-36-26-14-10-9-13-25(23)26)37-32(40)41-20-22-11-7-6-8-12-22/h6-14,19,21,24,27-30,36H,15-18,20H2,1-5H3,(H,37,40)(H,38,39)/t24-,27-,28-,29?,30-,34-/m0/s1

Standard InChI Key:  NNSQITORDKKUSC-AVXGFUSMSA-N

Alternative Forms

1. Parent:

   

   ALA3794482

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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: 585.55

Molecular Weight (Monoisotopic): 585.3374

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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