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

Details

Stereochemistry ACHIRAL
Molecular Formula C36H52N10O4
Molecular Weight 688.8627
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N'-BIS-(1-(3-METHYL-BUTYL)-5-(2-(N-METHYLCARBAMIMIDOYL)-ETHYLCARBAMOYL)-1H-PYRROL-3-YL)-TEREPHTHALAMIDE

SMILES

CNC(=N)CCNC(=O)C1=CC(NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(CCC(C)C)C(=C3)C(=O)NCCC(=N)NC)=CN1CCC(C)C

InChI

InChIKey=HUGIPKNLZQDVGP-UHFFFAOYSA-N
InChI=1S/C36H52N10O4/c1-23(2)13-17-45-21-27(19-29(45)35(49)41-15-11-31(37)39-5)43-33(47)25-7-9-26(10-8-25)34(48)44-28-20-30(46(22-28)18-14-24(3)4)36(50)42-16-12-32(38)40-6/h7-10,19-24H,11-18H2,1-6H3,(H2,37,39)(H2,38,40)(H,41,49)(H,42,50)(H,43,47)(H,44,48)

HIDE SMILES / InChI

Molecular Formula C36H52N10O4
Molecular Weight 688.8627
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 08:38:04 GMT 2023
Edited
by admin
on Sat Dec 16 08:38:04 GMT 2023
Record UNII
X63VS6M6TK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N'-BIS-(1-(3-METHYL-BUTYL)-5-(2-(N-METHYLCARBAMIMIDOYL)-ETHYLCARBAMOYL)-1H-PYRROL-3-YL)-TEREPHTHALAMIDE
Systematic Name English
1,4-BENZENEDICARBOXAMIDE, N1,N4-BIS(5-(((3-IMINO-3-(METHYLAMINO)PROPYL)AMINO)CARBONYL)-1-(3-METHYLBUTYL)-1H-PYRROL-3-YL)-
Systematic Name English
1,4-BENZENEDICARBOXAMIDE, N,N'-BIS(5-(((3-IMINO-3-(METHYLAMINO)PROPYL)AMINO)CARBONYL)-1-(3-METHYLBUTYL)-1H-PYRROL-3-YL)-
Systematic Name English
GL579225
Code English
GL-579225
Code English
N1,N4-BIS(1-(3-METHYLBUTYL)-5-((2-((Z)-N'-METHYLCARBAMIMIDOYL)ETHYL)CARBAMOYL)-1H-PYRROL-3-YL)BENZENE-1,4-DICARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
9831434
Created by admin on Sat Dec 16 08:38:04 GMT 2023 , Edited by admin on Sat Dec 16 08:38:04 GMT 2023
PRIMARY
CAS
386251-89-4
Created by admin on Sat Dec 16 08:38:04 GMT 2023 , Edited by admin on Sat Dec 16 08:38:04 GMT 2023
PRIMARY
FDA UNII
X63VS6M6TK
Created by admin on Sat Dec 16 08:38:04 GMT 2023 , Edited by admin on Sat Dec 16 08:38:04 GMT 2023
PRIMARY