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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H29N3O
Molecular Weight 387.5173
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)PYRROLIDIN-1-YL)PHENYL)PROPAN-2-OL

SMILES

CC(C)(O)C1=CC=C(C=C1)N2[C@@H](CC[C@H]2C3=CC=C(N)C=C3)C4=CC=C(N)C=C4

InChI

InChIKey=VWFMEQDKKRNPEF-ZEQRLZLVSA-N
InChI=1S/C25H29N3O/c1-25(2,29)19-7-13-22(14-8-19)28-23(17-3-9-20(26)10-4-17)15-16-24(28)18-5-11-21(27)12-6-18/h3-14,23-24,29H,15-16,26-27H2,1-2H3/t23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H29N3O
Molecular Weight 387.5173
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 15:11:43 GMT 2023
Edited
by admin
on Sat Dec 16 15:11:43 GMT 2023
Record UNII
3SZ0C6A5KB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)PYRROLIDIN-1-YL)PHENYL)PROPAN-2-OL
Systematic Name English
OMBITASVIR METABOLITE M34
Common Name English
Code System Code Type Description
PUBCHEM
138455045
Created by admin on Sat Dec 16 15:11:43 GMT 2023 , Edited by admin on Sat Dec 16 15:11:43 GMT 2023
PRIMARY
FDA UNII
3SZ0C6A5KB
Created by admin on Sat Dec 16 15:11:43 GMT 2023 , Edited by admin on Sat Dec 16 15:11:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE