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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23FNO5P
Molecular Weight 443.4046
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SQ-33600 FREE ACID

SMILES

CC(C)C1=C(C#CP(O)(=O)C[C@@H](O)CC(O)=O)N(C2=C1C=CC=C2)C3=CC=C(F)C=C3

InChI

InChIKey=DVRZSYZTEHXMHH-SFHVURJKSA-N
InChI=1S/C23H23FNO5P/c1-15(2)23-19-5-3-4-6-20(19)25(17-9-7-16(24)8-10-17)21(23)11-12-31(29,30)14-18(26)13-22(27)28/h3-10,15,18,26H,13-14H2,1-2H3,(H,27,28)(H,29,30)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H23FNO5P
Molecular Weight 443.4046
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:56:01 UTC 2023
Edited
by admin
on Sat Dec 16 13:56:01 UTC 2023
Record UNII
6YM2C377QB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SQ-33600 FREE ACID
Code English
BUTANOIC ACID, 4-(((1-(4-FLUOROPHENYL)-3-(1-METHYLETHYL)-1H-INDOL-2-YL)ETHYNYL)HYDROXYPHOSPHINYL)-3-HYDROXY-, (3S)-
Systematic Name English
Code System Code Type Description
FDA UNII
6YM2C377QB
Created by admin on Sat Dec 16 13:56:01 UTC 2023 , Edited by admin on Sat Dec 16 13:56:01 UTC 2023
PRIMARY
PUBCHEM
131697
Created by admin on Sat Dec 16 13:56:01 UTC 2023 , Edited by admin on Sat Dec 16 13:56:01 UTC 2023
PRIMARY
CAS
119901-68-7
Created by admin on Sat Dec 16 13:56:01 UTC 2023 , Edited by admin on Sat Dec 16 13:56:01 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR