U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26BF2N3O7
Molecular Weight 481.255
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Davelizomib

SMILES

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCN1C2=C(F)C=C(F)C=C2)B3O[C@@H](CC(O)=O)C(=O)O3

InChI

InChIKey=BMSAGHWUHGTMIV-ULQDDVLXSA-N
InChI=1S/C21H26BF2N3O7/c1-11(2)7-17(22-33-16(9-19(29)30)21(32)34-22)26-18(28)10-25-20(31)15-5-6-27(15)14-4-3-12(23)8-13(14)24/h3-4,8,11,15-17H,5-7,9-10H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)/t15-,16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26BF2N3O7
Molecular Weight 481.255
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:11:58 UTC 2023
Edited
by admin
on Sat Dec 16 20:11:58 UTC 2023
Record UNII
T3LN9U6BRF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Davelizomib
INN  
Official Name English
1,3,2-Dioxaborolane-4-acetic acid, 2-[(1R)-1-[[2-[[[(2S)-1-(2,4-difluorophenyl)-2-azetidinyl]carbonyl]amino]acetyl]amino]-3-methylbutyl]-5-oxo-, (4S)-
Common Name English
davelizomib [INN]
Common Name English
Code System Code Type Description
INN
12698
Created by admin on Sat Dec 16 20:11:58 UTC 2023 , Edited by admin on Sat Dec 16 20:11:58 UTC 2023
PRIMARY
FDA UNII
T3LN9U6BRF
Created by admin on Sat Dec 16 20:11:58 UTC 2023 , Edited by admin on Sat Dec 16 20:11:58 UTC 2023
PRIMARY
PUBCHEM
147112102
Created by admin on Sat Dec 16 20:11:58 UTC 2023 , Edited by admin on Sat Dec 16 20:11:58 UTC 2023
PRIMARY
CAS
2409841-51-4
Created by admin on Sat Dec 16 20:11:58 UTC 2023 , Edited by admin on Sat Dec 16 20:11:58 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
proteasome inhibitor