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

Details

Stereochemistry ABSOLUTE
Molecular Formula C62H74ClFN8O7S
Molecular Weight 1129.817
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARD-69

SMILES

CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](CC(=O)N3CCC(CC3)N4CCC(CC4)C#CC5=CC=C(C=C5)C(=O)N[C@H]6C(C)(C)[C@H](OC7=CC(Cl)=C(C=C7)C#N)C6(C)C)NC(=O)[C@@H]8C[C@@H](O)CN8C(=O)[C@@H](NC(=O)C9(F)CC9)C(C)(C)C

InChI

InChIKey=CWGVEMFBQJUWLU-RXFAPWBBSA-N
InChI=1S/C62H74ClFN8O7S/c1-37-51(80-36-66-37)41-17-15-40(16-18-41)48(67-54(76)49-31-45(73)35-72(49)55(77)52(59(2,3)4)68-58(78)62(64)25-26-62)33-50(74)71-29-23-44(24-30-71)70-27-21-39(22-28-70)10-9-38-11-13-42(14-12-38)53(75)69-56-60(5,6)57(61(56,7)8)79-46-20-19-43(34-65)47(63)32-46/h11-20,32,36,39,44-45,48-49,52,56-57,73H,21-31,33,35H2,1-8H3,(H,67,76)(H,68,78)(H,69,75)/t45-,48+,49+,52-,56-,57-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ARD-69
Code English
ARD69
Code English
Code System Code Type Description
CAS
2316837-10-0
Created by admin on Sat Dec 16 19:31:12 GMT 2023 , Edited by admin on Sat Dec 16 19:31:12 GMT 2023
PRIMARY
FDA UNII
6V4BB6JQ6C
Created by admin on Sat Dec 16 19:31:12 GMT 2023 , Edited by admin on Sat Dec 16 19:31:12 GMT 2023
PRIMARY