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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17BCl2N2O4
Molecular Weight 359.013
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ((1R)-1-((2-((2,5-DICHLOROBENZOYL)AMINO)ACETYL)AMINO)-3-METHYL-BUT-3-ENYL)BORONIC ACID

SMILES

CC(=C)C[C@H](NC(=O)CNC(=O)C1=C(Cl)C=CC(Cl)=C1)B(O)O

InChI

InChIKey=GOIOBGPDIKLUCM-LBPRGKRZSA-N
InChI=1S/C14H17BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,12,22-23H,1,5,7H2,2H3,(H,18,21)(H,19,20)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H17BCl2N2O4
Molecular Weight 359.013
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:53:25 UTC 2023
Edited
by admin
on Sat Dec 16 14:53:25 UTC 2023
Record UNII
3FJ9F8MWN2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
((1R)-1-((2-((2,5-DICHLOROBENZOYL)AMINO)ACETYL)AMINO)-3-METHYL-BUT-3-ENYL)BORONIC ACID
Systematic Name English
ML790286
Code English
IXAZOMIB METABOLITE M6
Common Name English
Code System Code Type Description
PUBCHEM
156613539
Created by admin on Sat Dec 16 14:53:25 UTC 2023 , Edited by admin on Sat Dec 16 14:53:25 UTC 2023
PRIMARY
FDA UNII
3FJ9F8MWN2
Created by admin on Sat Dec 16 14:53:25 UTC 2023 , Edited by admin on Sat Dec 16 14:53:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE