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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H33N3O5S
Molecular Weight 511.633
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AG-001859

SMILES

[H][C@@]1(N(CSC1(C)C)C(=O)[C@@H](O)[C@H](CC2=CC=CC=C2)NC(=O)C3=C(C)C(O)=CC=C3)C(=O)NCC=C

InChI

InChIKey=LXRNKYYBEZMYNM-ACIOBRDBSA-N
InChI=1S/C27H33N3O5S/c1-5-14-28-25(34)23-27(3,4)36-16-30(23)26(35)22(32)20(15-18-10-7-6-8-11-18)29-24(33)19-12-9-13-21(31)17(19)2/h5-13,20,22-23,31-32H,1,14-16H2,2-4H3,(H,28,34)(H,29,33)/t20-,22-,23+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AG-001859
Code English
(4R)-3-((2S,3S)-2-HYDROXY-3-((3-HYDROXY-2-METHYLBENZOYL)AMINO)-1-OXO-4-PHENYLBUTYL)-5,5-DIMETHYL-N-2-PROPENYL-4-THIAZOLIDINECARBOXAMIDE
Systematic Name English
AG-1859
Code English
AG 1859
Code English
AG 001859
Code English
(4R)-3-((2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYLAMINO)-4-PHENYL-BUTYRYL)-5,5 DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID ALLYLAMIDE
Systematic Name English
Code System Code Type Description
SMS_ID
300000042363
Created by admin on Fri Dec 15 15:38:07 GMT 2023 , Edited by admin on Fri Dec 15 15:38:07 GMT 2023
PRIMARY
FDA UNII
USI577N9VE
Created by admin on Fri Dec 15 15:38:07 GMT 2023 , Edited by admin on Fri Dec 15 15:38:07 GMT 2023
PRIMARY
CAS
478410-84-3
Created by admin on Fri Dec 15 15:38:07 GMT 2023 , Edited by admin on Fri Dec 15 15:38:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID90460038
Created by admin on Fri Dec 15 15:38:07 GMT 2023 , Edited by admin on Fri Dec 15 15:38:07 GMT 2023
PRIMARY
PUBCHEM
11249242
Created by admin on Fri Dec 15 15:38:07 GMT 2023 , Edited by admin on Fri Dec 15 15:38:07 GMT 2023
PRIMARY