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

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H59N5O8
Molecular Weight 737.9252
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](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)[C@](C)(O)CO

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

Approval Year

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 Dec 16 09:44:49 GMT 2023 , Edited by admin on Sat Dec 16 09:44:49 GMT 2023
PRIMARY
FDA UNII
9C19QCY050
Created by admin on Sat Dec 16 09:44:49 GMT 2023 , Edited by admin on Sat Dec 16 09:44:49 GMT 2023
PRIMARY
PUBCHEM
86715358
Created by admin on Sat Dec 16 09:44:49 GMT 2023 , Edited by admin on Sat Dec 16 09:44:49 GMT 2023
PRIMARY