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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H43FN2O5
Molecular Weight 626.7568
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL (4R,6R)-6-(2-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE

SMILES

CCOC(=O)C[C@H]1C[C@@H](CCN2C(C(C)C)=C(C(=O)NC3=CC=CC=C3)C(=C2C4=CC=C(F)C=C4)C5=CC=CC=C5)OC(C)(C)O1

InChI

InChIKey=IKTXAZNEVPXDFG-FIRIVFDPSA-N
InChI=1S/C38H43FN2O5/c1-6-44-32(42)24-31-23-30(45-38(4,5)46-31)21-22-41-35(25(2)3)34(37(43)40-29-15-11-8-12-16-29)33(26-13-9-7-10-14-26)36(41)27-17-19-28(39)20-18-27/h7-20,25,30-31H,6,21-24H2,1-5H3,(H,40,43)/t30-,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C38H43FN2O5
Molecular Weight 626.7568
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:37:32 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:32 GMT 2023
Record UNII
RYW6GR2YSQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL (4R,6R)-6-(2-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
Common Name English
1,3-DIOXANE-4-ACETIC ACID, 6-(2-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-, ETHYL ESTER, (4R,6R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11192926
Created by admin on Sat Dec 16 18:37:32 GMT 2023 , Edited by admin on Sat Dec 16 18:37:32 GMT 2023
PRIMARY PUBCHEM
CAS
616201-27-5
Created by admin on Sat Dec 16 18:37:32 GMT 2023 , Edited by admin on Sat Dec 16 18:37:32 GMT 2023
PRIMARY
FDA UNII
RYW6GR2YSQ
Created by admin on Sat Dec 16 18:37:32 GMT 2023 , Edited by admin on Sat Dec 16 18:37:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY