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Details

Stereochemistry MIXED
Molecular Formula C27H33N5O4
Molecular Weight 491.582
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(5-(4-CYANO-1H-IMIDAZOLE-2-CARBOXAMIDO)-6-(4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)PYRIDIN-2-YL)-2,6,6-TRIMETHYLTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

SMILES

CC1(C)CCC(=CC1)C2=NC(=CC=C2NC(=O)C3=NC=C(N3)C#N)C4CC(C)(C)OC(C)(C4)C(O)=O

InChI

InChIKey=MZZYKYGSHDFBTD-UHFFFAOYSA-N
InChI=1S/C27H33N5O4/c1-25(2)10-8-16(9-11-25)21-20(32-23(33)22-29-15-18(14-28)30-22)7-6-19(31-21)17-12-26(3,4)36-27(5,13-17)24(34)35/h6-8,15,17H,9-13H2,1-5H3,(H,29,30)(H,32,33)(H,34,35)

HIDE SMILES / InChI

Molecular Formula C27H33N5O4
Molecular Weight 491.582
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
GD9M8H3V6H
Record Status Validated (UNII)
Record Version