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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H24FN3O5S
Molecular Weight 509.549
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5S)-6-(BENZOFURAN-4-CARBONYLAMINO)-5-((5-(4-FLUOROPHENYL)-2-METHYL-THIAZOLE-4-CARBONYL)AMINO)HEXANOIC ACID

SMILES

CC1=NC(C(=O)N[C@@H](CCCC(O)=O)CNC(=O)C2=C3C=COC3=CC=C2)=C(S1)C4=CC=C(F)C=C4

InChI

InChIKey=VLUYKCJYPNEQDD-SFHVURJKSA-N
InChI=1S/C26H24FN3O5S/c1-15-29-23(24(36-15)16-8-10-17(27)11-9-16)26(34)30-18(4-2-7-22(31)32)14-28-25(33)20-5-3-6-21-19(20)12-13-35-21/h3,5-6,8-13,18H,2,4,7,14H2,1H3,(H,28,33)(H,30,34)(H,31,32)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H24FN3O5S
Molecular Weight 509.549
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 16:12:10 GMT 2023
Edited
by admin
on Sat Dec 16 16:12:10 GMT 2023
Record UNII
BF9TT85M2M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5S)-6-(BENZOFURAN-4-CARBONYLAMINO)-5-((5-(4-FLUOROPHENYL)-2-METHYL-THIAZOLE-4-CARBONYL)AMINO)HEXANOIC ACID
Systematic Name English
SB-649868 METABOLITE M32
Common Name English
Code System Code Type Description
PUBCHEM
118753125
Created by admin on Sat Dec 16 16:12:10 GMT 2023 , Edited by admin on Sat Dec 16 16:12:10 GMT 2023
PRIMARY
FDA UNII
BF9TT85M2M
Created by admin on Sat Dec 16 16:12:10 GMT 2023 , Edited by admin on Sat Dec 16 16:12:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE