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Details

Stereochemistry MIXED
Molecular Formula C18H25N3O3
Molecular Weight 331.4094
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1AS,4S,6AR,7AS)-6-AMINO-4-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)-1,1A,4,6A,7,7A-HEXAHYDRO-3H-CYCLOPROPA(4,5)PYRROLO(1,2-A)PYRAZIN-3-ONE

SMILES

[H][C@@]12C[C@]1([H])N3C(=O)[C@@]([H])(NC(=N)[C@@]3([H])C2)C45CC6CC(O)(CC(O)(C6)C4)C5

InChI

InChIKey=IJVVVHQBNWXMNQ-FHKDIRIYSA-N
InChI=1S/C18H25N3O3/c19-14-12-2-10-1-11(10)21(12)15(22)13(20-14)16-3-9-4-17(23,6-16)8-18(24,5-9)7-16/h9-13,23-24H,1-8H2,(H2,19,20)/t9?,10-,11-,12+,13+,16?,17?,18?/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H25N3O3
Molecular Weight 331.4094
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 4 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
XJS56A8GYF
Record Status Validated (UNII)
Record Version