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Details

Stereochemistry ACHIRAL
Molecular Formula C20H26N4O8S2
Molecular Weight 514.572
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-diethyl 2-amino-5-{[5-amino-3,4-bis(ethoxycarbonyl)-1H-pyrrol-2-yl]disulfanyl}-1H-pyrrole-3,4-dicarboxylate

SMILES

CCOC(=O)C1=C(N)NC(SSC2=C(C(=O)OCC)C(C(=O)OCC)=C(N)N2)=C1C(=O)OCC

InChI

InChIKey=DVIVZYXVJSOTBW-UHFFFAOYSA-N
InChI=1S/C20H26N4O8S2/c1-5-29-17(25)9-11(19(27)31-7-3)15(23-13(9)21)33-34-16-12(20(28)32-8-4)10(14(22)24-16)18(26)30-6-2/h23-24H,5-8,21-22H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C20H26N4O8S2
Molecular Weight 514.572
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:50:07 GMT 2023
Edited
by admin
on Sat Dec 16 12:50:07 GMT 2023
Record UNII
R63JVD5ZKF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-diethyl 2-amino-5-{[5-amino-3,4-bis(ethoxycarbonyl)-1H-pyrrol-2-yl]disulfanyl}-1H-pyrrole-3,4-dicarboxylate
Systematic Name English
NSC-207890
Code English
1H-PYRROLE-3,4-DICARBOXYLIC ACID, 2,2'-DITHIOBIS(5-AMINO-, TETRAETHYL ESTER
Common Name English
diethyl 2-amino-5-[[5-amino-3,4-bis(ethoxycarbonyl)-1H-pyrrol-2-yl]disulfanyl]-1H-pyrrole-3,4-dicarboxylate
Systematic Name English
Code System Code Type Description
CAS
38187-04-1
Created by admin on Sat Dec 16 12:50:07 GMT 2023 , Edited by admin on Sat Dec 16 12:50:07 GMT 2023
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NSC
207890
Created by admin on Sat Dec 16 12:50:07 GMT 2023 , Edited by admin on Sat Dec 16 12:50:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID50191573
Created by admin on Sat Dec 16 12:50:07 GMT 2023 , Edited by admin on Sat Dec 16 12:50:07 GMT 2023
PRIMARY
PUBCHEM
308093
Created by admin on Sat Dec 16 12:50:07 GMT 2023 , Edited by admin on Sat Dec 16 12:50:07 GMT 2023
PRIMARY
FDA UNII
R63JVD5ZKF
Created by admin on Sat Dec 16 12:50:07 GMT 2023 , Edited by admin on Sat Dec 16 12:50:07 GMT 2023
PRIMARY