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

Details

Stereochemistry UNKNOWN
Molecular Formula C27H27N7O3S
Molecular Weight 529.613
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R)-2-ACETAMIDO-3-(2-CYANO-1-(4-((2-(4-CYANOANILINO)PYRIMIDIN-4-YL)AMINO)-3,5-DIMETHYL-PHENYL)ETHYL)SULFANYL-PROPANOIC ACID

SMILES

CC(=O)N[C@@H](CSC(CC#N)C1=CC(C)=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(C)=C1)C(O)=O

InChI

InChIKey=XVPHLXRKEFGORH-NQCNTLBGSA-N
InChI=1S/C27H27N7O3S/c1-16-12-20(23(8-10-28)38-15-22(26(36)37)31-18(3)35)13-17(2)25(16)33-24-9-11-30-27(34-24)32-21-6-4-19(14-29)5-7-21/h4-7,9,11-13,22-23H,8,15H2,1-3H3,(H,31,35)(H,36,37)(H2,30,32,33,34)/t22-,23?/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2R)-2-ACETAMIDO-3-(2-CYANO-1-(4-((2-(4-CYANOANILINO)PYRIMIDIN-4-YL)AMINO)-3,5-DIMETHYL-PHENYL)ETHYL)SULFANYL-PROPANOIC ACID
Common Name English
R378523
Common Name English
RILPIVIRINE METABOLITE 18
Common Name English
Code System Code Type Description
FDA UNII
RJ53F4T767
Created by admin on Sat Dec 16 15:03:44 GMT 2023 , Edited by admin on Sat Dec 16 15:03:44 GMT 2023
PRIMARY
PUBCHEM
155928827
Created by admin on Sat Dec 16 15:03:44 GMT 2023 , Edited by admin on Sat Dec 16 15:03:44 GMT 2023
PRIMARY