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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H36N4O8
Molecular Weight 484.5432
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Dimerum acid

SMILES

C\C(CCO)=C/C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)\C=C(/C)CCO)NC1=O

InChI

InChIKey=MKDKGLNKTMDNHY-URISWADMSA-N
InChI=1S/C22H36N4O8/c1-15(7-11-27)13-19(29)25(33)9-3-5-17-21(31)24-18(22(32)23-17)6-4-10-26(34)20(30)14-16(2)8-12-28/h13-14,17-18,27-28,33-34H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+/t17-,18-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Dimerumic acid
Preferred Name English
Dimerum acid
Common Name English
2-Pentenamide, N,N?-[[(2S,5S)-3,6-dioxo-2,5-piperazinediyl]di-3,1-propanediyl]bis[N,5-dihydroxy-3-methyl-, (2E,2?E)-
Systematic Name English
Dimerunic acid
Common Name English
(2E,2?E)-N,N?-[[(2S,5S)-3,6-Dioxo-2,5-piperazinediyl]di-3,1-propanediyl]bis[N,5-dihydroxy-3-methyl-2-pentenamide]
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID601318038
Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025
PRIMARY
CAS
26912-16-3
Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025
PRIMARY
FDA UNII
SDS82XVN4Q
Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025
PRIMARY
PUBCHEM
137645418
Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025
PRIMARY