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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H59N5O8
Molecular Weight 737.9267
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEEPOXY ETHANE-1,2-DIOL CARFILZOMIB

SMILES

CC(C)C[C@@]([H])(C(=O)[C@@](C)(CO)O)N=C([C@]([H])(Cc1ccccc1)N=C([C@]([H])(CC(C)C)N=C([C@]([H])(CCc2ccccc2)N=C(CN3CCOCC3)O)O)O)O

InChI

InChIKey=ABPYUKBBMCBILQ-NZTKNTHTSA-N
InChI=1S/C40H59N5O8/c1-27(2)22-32(36(48)40(5,52)26-46)42-39(51)34(24-30-14-10-7-11-15-30)44-38(50)33(23-28(3)4)43-37(49)31(17-16-29-12-8-6-9-13-29)41-35(47)25-45-18-20-53-21-19-45/h6-15,27-28,31-34,46,52H,16-26H2,1-5H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)/t31-,32-,33-,34-,40+/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H59N5O8
Molecular Weight 737.9267
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 16:39:43 UTC 2021
Edited
by admin
on Sat Jun 26 16:39:43 UTC 2021
Record UNII
9C19QCY050
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEEPOXY ETHANE-1,2-DIOL CARFILZOMIB
Common Name English
L-PHENYLALANINAMIDE, (.ALPHA.S)-.ALPHA.-((2-(4-MORPHOLINYL)ACETYL)AMINO)BENZENEBUTANOYL-L-LEUCYL-N-((1S,3R)-3,4-DIHYDROXY-3-METHYL-1-(2-METHYLPROPYL)-2-OXOBUTYL)-
Systematic Name English
PR-519
Code English
CARFILZOMIB METABOLITE M16
Common Name English
Code System Code Type Description
CAS
1541172-75-1
Created by admin on Sat Jun 26 16:39:43 UTC 2021 , Edited by admin on Sat Jun 26 16:39:43 UTC 2021
PRIMARY
FDA UNII
9C19QCY050
Created by admin on Sat Jun 26 16:39:43 UTC 2021 , Edited by admin on Sat Jun 26 16:39:43 UTC 2021
PRIMARY
PUBCHEM
86715358
Created by admin on Sat Jun 26 16:39:43 UTC 2021 , Edited by admin on Sat Jun 26 16:39:43 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Cytochrome P450-mediated mechanisms played a minor role in overall carfilzomib metabolism
MAJOR
PLASMA