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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H42N6O4
Molecular Weight 538.6816
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AT-1459

SMILES

CCN1C(CC[C@@H]2CCCN2C(=O)CN3CCCC[C@H](NCCCC(O)=O)C3=O)=CC4=C1C=C(C=C4)C(N)=N

InChI

InChIKey=DTJAQQZJSTVZRK-UPVQGACJSA-N
InChI=1S/C29H42N6O4/c1-2-34-23(17-20-10-11-21(28(30)31)18-25(20)34)13-12-22-7-6-16-35(22)26(36)19-33-15-4-3-8-24(29(33)39)32-14-5-9-27(37)38/h10-11,17-18,22,24,32H,2-9,12-16,19H2,1H3,(H3,30,31)(H,37,38)/t22-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H42N6O4
Molecular Weight 538.6816
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
JWP323ABVS
Record Status Validated (UNII)
Record Version