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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H12N2O4
Molecular Weight 188.1812
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TABTOXININE .BETA.-LACTAM

SMILES

N[C@@H](CC[C@]1(O)CNC1=O)C(O)=O

InChI

InChIKey=BSUXZTMOMIFYBF-FFWSUHOLSA-N
InChI=1S/C7H12N2O4/c8-4(5(10)11)1-2-7(13)3-9-6(7)12/h4,13H,1-3,8H2,(H,9,12)(H,10,11)/t4-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H12N2O4
Molecular Weight 188.1812
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
2UUE5D9555
Record Status Validated (UNII)
Record Version