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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

Molecular Formula C27H27N7O3S
Molecular Weight 529.613
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:37:32 UTC 2023
Edited
by admin
on Thu Jul 06 20:37:32 UTC 2023
Record UNII
RJ53F4T767
Record Status Validated (UNII)
Record Version
  • Download
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 Thu Jul 06 20:37:32 UTC 2023 , Edited by admin on Thu Jul 06 20:37:32 UTC 2023
PRIMARY
PUBCHEM
155928827
Created by admin on Thu Jul 06 20:37:32 UTC 2023 , Edited by admin on Thu Jul 06 20:37:32 UTC 2023
PRIMARY
Related Record Type Details
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