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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32N3O5S.Na
Molecular Weight 533.615
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AG-001859 SODIUM

SMILES

[Na+].CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@H]([O-])C(=O)N3CSC(C)(C)[C@H]3C(=O)NCC=C

InChI

InChIKey=CYVAKGXXKQXSJT-HRMSIUJGSA-N
InChI=1S/C27H32N3O5S.Na/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;/h5-13,20,22-23,31H,1,14-16H2,2-4H3,(H,28,34)(H,29,33);/q-1;+1/t20-,22-,23+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AG-001859 SODIUM
Common Name English
4-THIAZOLIDINECARBOXAMIDE, 3-((2S,3S)-2-HYDROXY-3-((3-HYDROXY-2-METHYLBENZOYL)AMINO)-1-OXO-4-PHENYLBUTYL)-5,5-DIMETHYL-N-2-PROPEN-1-YL-, SODIUM SALT (1:1), (4R)-
Systematic Name English
(4R)-N-ALLYL-3-((2S,3S)-2-HYDROXY-3-((3-HYDROXY-2-METHYL-BENZOYL)AMINO)-4-PHENYL-BUTANOYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXAMIDE; SODIUM HYDRIDE
Systematic Name English
Code System Code Type Description
FDA UNII
D6U5BF7TNV
Created by admin on Sat Dec 16 11:18:25 GMT 2023 , Edited by admin on Sat Dec 16 11:18:25 GMT 2023
PRIMARY
CAS
1350139-81-9
Created by admin on Sat Dec 16 11:18:25 GMT 2023 , Edited by admin on Sat Dec 16 11:18:25 GMT 2023
PRIMARY
PUBCHEM
163203544
Created by admin on Sat Dec 16 11:18:25 GMT 2023 , Edited by admin on Sat Dec 16 11:18:25 GMT 2023
PRIMARY