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Details

Stereochemistry ACHIRAL
Molecular Formula C26H25N3O3
Molecular Weight 427.495
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AK-106

SMILES

CN1N=CC2=C1C=CC(=C2)C3=C(OC4CC5=C(C4)C=CC=C5)C(N)=CC(CCC(O)=O)=C3

InChI

InChIKey=ULNYPYSSPODXCS-UHFFFAOYSA-N
InChI=1S/C26H25N3O3/c1-29-24-8-7-19(12-20(24)15-28-29)22-10-16(6-9-25(30)31)11-23(27)26(22)32-21-13-17-4-2-3-5-18(17)14-21/h2-5,7-8,10-12,15,21H,6,9,13-14,27H2,1H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula C26H25N3O3
Molecular Weight 427.495
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
I2CST2BV1Q
Record Status Validated (UNII)
Record Version