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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21FN2O9
Molecular Weight 428.3657
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-6-(1-(4-CARBAMOYL-3-FLUORO-ANILINO)CYCLOBUTANECARBONYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

NC(=O)C1=CC=C(NC2(CCC2)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C1F

InChI

InChIKey=BTAKTZFCGBCNPF-DJUFWWRVSA-N
InChI=1S/C18H21FN2O9/c19-9-6-7(2-3-8(9)14(20)25)21-18(4-1-5-18)17(28)30-16-12(24)10(22)11(23)13(29-16)15(26)27/h2-3,6,10-13,16,21-24H,1,4-5H2,(H2,20,25)(H,26,27)/t10-,11-,12+,13-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H21FN2O9
Molecular Weight 428.3657
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
T3HF86RC8H
Record Status Validated (UNII)
Record Version