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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23FN2O4S
Molecular Weight 382.45
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-179954

SMILES

CCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(F)=C(C=C2)C3CC[S+]([O-])CC3

InChI

InChIKey=RYPCUAJXKPWTPC-RQXQQJJBSA-N
InChI=1S/C18H23FN2O4S/c1-2-17(22)20-10-14-11-21(18(23)25-14)13-3-4-15(16(19)9-13)12-5-7-26(24)8-6-12/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H,20,22)/t12?,14-,26?/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H23FN2O4S
Molecular Weight 382.45
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3W50I0PROQ
Record Status Validated (UNII)
Record Version