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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H33N3O5
Molecular Weight 419.5154
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PR-413

SMILES

CC(C)C[C@@]([H])(C(=O)O)N=C([C@]([H])(CCc1ccccc1)N=C(CN2CCOCC2)O)O

InChI

InChIKey=WKTVUOBKTNVUSS-OALUTQOASA-N
InChI=1S/C22H33N3O5/c1-16(2)14-19(22(28)29)24-21(27)18(9-8-17-6-4-3-5-7-17)23-20(26)15-25-10-12-30-13-11-25/h3-7,16,18-19H,8-15H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)/t18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H33N3O5
Molecular Weight 419.5154
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:49:30 UTC 2021
Edited
by admin
on Sat Jun 26 00:49:30 UTC 2021
Record UNII
4YMT66EB0I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PR-413
Code English
CARFILZOMIB METABOLITE M15
Common Name English
L-LEUCINE, N-((2S)-2-((2-(4-MORPHOLINYL)ACETYL)AMINO)-1-OXO-4-PHENYLBUTYL)-
Systematic Name English
CARFILZOMIB IMPURITY 14
Common Name English
Code System Code Type Description
FDA UNII
4YMT66EB0I
Created by admin on Sat Jun 26 00:49:30 UTC 2021 , Edited by admin on Sat Jun 26 00:49:30 UTC 2021
PRIMARY
PUBCHEM
118673135
Created by admin on Sat Jun 26 00:49:30 UTC 2021 , Edited by admin on Sat Jun 26 00:49:30 UTC 2021
PRIMARY
CAS
1396006-47-5
Created by admin on Sat Jun 26 00:49:30 UTC 2021 , Edited by admin on Sat Jun 26 00:49:30 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA; URINE