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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22F3NO8S
Molecular Weight 505.461
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABT-518

SMILES

CC1(C)OC[C@@H](O1)[C@@H](CS(=O)(=O)C2=CC=C(OC3=CC=C(OC(F)(F)F)C=C3)C=C2)N(O)C=O

InChI

InChIKey=IVPPTWCRAFCOFJ-RTBURBONSA-N
InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22F3NO8S
Molecular Weight 505.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7S00622N3Z
Record Status Validated (UNII)
Record Version