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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H36N2O10S
Molecular Weight 568.636
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((6S)-HEXAHYDRO-2,2-DIMETHYL-6-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-7-OXO-1H-AZEPINE-1-ACETATE)

SMILES

CS[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCCC(C)(C)N(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C2=O

InChI

InChIKey=JWWXUEUUYLDCRK-KLNSUKDCSA-N
InChI=1S/C26H36N2O10S/c1-26(2)11-7-10-15(27-22(33)16(39-3)12-14-8-5-4-6-9-14)23(34)28(26)13-17(29)37-25-20(32)18(30)19(31)21(38-25)24(35)36/h4-6,8-9,15-16,18-21,25,30-32H,7,10-13H2,1-3H3,(H,27,33)(H,35,36)/t15-,16-,18-,19-,20+,21-,25+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((6S)-HEXAHYDRO-2,2-DIMETHYL-6-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-7-OXO-1H-AZEPINE-1-ACETATE)
Systematic Name English
GEMOPATRILAT METABOLITE M9
Common Name English
Code System Code Type Description
CAS
908118-80-9
Created by admin on Sat Dec 16 16:07:52 GMT 2023 , Edited by admin on Sat Dec 16 16:07:52 GMT 2023
PRIMARY
FDA UNII
BC6X14S6RK
Created by admin on Sat Dec 16 16:07:52 GMT 2023 , Edited by admin on Sat Dec 16 16:07:52 GMT 2023
PRIMARY
PUBCHEM
154584839
Created by admin on Sat Dec 16 16:07:52 GMT 2023 , Edited by admin on Sat Dec 16 16:07:52 GMT 2023
PRIMARY