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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H35N3O3
Molecular Weight 437.5744
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AT-076

SMILES

CC(C)[C@@H](CN1CCC(CC1)C2=CC=CC(O)=C2)NC(=O)[C@H]3CC4=CC=C(O)C=C4CN3

InChI

InChIKey=LGYDWJJZDCXEOV-JWQCQUIFSA-N
InChI=1S/C26H35N3O3/c1-17(2)25(16-29-10-8-18(9-11-29)19-4-3-5-22(30)12-19)28-26(32)24-14-20-6-7-23(31)13-21(20)15-27-24/h3-7,12-13,17-18,24-25,27,30-31H,8-11,14-16H2,1-2H3,(H,28,32)/t24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H35N3O3
Molecular Weight 437.5744
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
NT43S9BKJ2
Record Status Validated (UNII)
Record Version