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Details

Stereochemistry ACHIRAL
Molecular Formula C49H50N5O7S
Molecular Weight 853.016
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 1

SHOW SMILES / InChI
Structure of GLYCINE, (PEGULICIANINE)-

SMILES

OC(=O)CNC(=O)CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2)C3=C4C=C\C(C=C4OC5=C3C=CC(=C5)N6CCC7=C6C=CC=C7)=[N+]8/CCC9=C8C=CC=C9

InChI

InChIKey=SZLQJYLBAKCJDI-UHFFFAOYSA-O
InChI=1S/C49H49N5O7S/c55-46(51-32-47(56)57)16-2-1-9-25-50-49(58)35-21-26-52(27-22-35)62(59,60)45-15-8-5-12-40(45)48-38-19-17-36(53-28-23-33-10-3-6-13-41(33)53)30-43(38)61-44-31-37(18-20-39(44)48)54-29-24-34-11-4-7-14-42(34)54/h3-8,10-15,17-20,30-31,35H,1-2,9,16,21-29,32H2,(H2-,50,51,55,56,57,58)/p+1

HIDE SMILES / InChI

Molecular Formula C49H50N5O7S
Molecular Weight 853.016
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:40:58 GMT 2023
Edited
by admin
on Sat Dec 16 15:40:58 GMT 2023
Record UNII
3N4C8FGA4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCINE, (PEGULICIANINE)-
Common Name English
(((1-((2-((Z)-3,6-BIS(2,3-DIHYDRO-1H-INDOL-1-YL)XANTHYLIUM-9-YL)PHENYL)SULFONYL)PIPERIDIN-4-YL)CARBONYL)AMINO)HEXANOYL-GLYCINE
Common Name English
Code System Code Type Description
PUBCHEM
146019582
Created by admin on Sat Dec 16 15:40:58 GMT 2023 , Edited by admin on Sat Dec 16 15:40:58 GMT 2023
PRIMARY
FDA UNII
3N4C8FGA4N
Created by admin on Sat Dec 16 15:40:58 GMT 2023 , Edited by admin on Sat Dec 16 15:40:58 GMT 2023
PRIMARY
Related Record Type Details
IONIC MOIETY