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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H43FN6O3
Molecular Weight 590.7313
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DSP-5336

SMILES

CC(C)N(C(C)C)C(=O)C1=C(OC2=CN=CN=C2N3CC4(C3)CCN(CC4)C(=O)[C@H]5N[C@H]6CC[C@@H]5C(=C)C6)C=CC(F)=C1

InChI

InChIKey=JQHJEDMMWUIYCE-FVVBACEJSA-N
InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H43FN6O3
Molecular Weight 590.7313
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
VW83Y2JLZ5
Record Status Validated (UNII)
Record Version