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

Details

Stereochemistry EPIMERIC
Molecular Formula C65H126N10O12S
Molecular Weight 1271.821
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAM2CSK4

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChIKey=LJUIOEFZFQRWJG-KKIBDXJDSA-N
InChI=1S/C65H126N10O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-58(77)86-48-51(87-59(78)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49-88-50-52(70)60(79)75-57(47-76)64(83)73-54(38-30-34-44-67)62(81)71-53(37-29-33-43-66)61(80)72-55(39-31-35-45-68)63(82)74-56(65(84)85)40-32-36-46-69/h51-57,76H,3-50,66-70H2,1-2H3,(H,71,81)(H,72,80)(H,73,83)(H,74,82)(H,75,79)(H,84,85)/t51?,52-,53-,54-,55-,56-,57-/m0/s1

HIDE SMILES / InChI

Molecular Formula C65H126N10O12S
Molecular Weight 1271.821
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:31:23 GMT 2023
Edited
by admin
on Sat Dec 16 14:31:23 GMT 2023
Record UNII
L33ZW7BO91
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAM2CSK4
Common Name English
CBLB 601
Code English
L-LYSINE, S-(2,3-BIS((1-OXOHEXADECYL)OXY)PROPYL)-L-CYSTEINYL-L-SERYL-L-LYSYL-L-LYSYL-L-LYSYL-
Common Name English
Pam2CSK4 [WHO-DD]
Common Name English
S-(2,3-BIS((1-OXOHEXADECYL)OXY)PROPYL)-L-CYSTEINYL-L-SERYL-L-LYSYL-L-LYSYL-L-LYSYL-L-LYSINE
Common Name English
Code System Code Type Description
CHEBI
46889
Created by admin on Sat Dec 16 14:31:23 GMT 2023 , Edited by admin on Sat Dec 16 14:31:23 GMT 2023
PRIMARY
FDA UNII
L33ZW7BO91
Created by admin on Sat Dec 16 14:31:23 GMT 2023 , Edited by admin on Sat Dec 16 14:31:23 GMT 2023
PRIMARY
CAS
574741-81-4
Created by admin on Sat Dec 16 14:31:23 GMT 2023 , Edited by admin on Sat Dec 16 14:31:23 GMT 2023
PRIMARY
PUBCHEM
9989023
Created by admin on Sat Dec 16 14:31:23 GMT 2023 , Edited by admin on Sat Dec 16 14:31:23 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY