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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29N5O4S
Molecular Weight 459.562
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NT-0249 free acid

SMILES

CN1C=C(C=N1)N(C[C@@H]2CCCO2)S(=O)(=O)NC(=O)NC3=C4CCCC4=CC5=C3CCC5

InChI

InChIKey=BISMWMMNUMFVKI-SFHVURJKSA-N
InChI=1S/C22H29N5O4S/c1-26-13-17(12-23-26)27(14-18-7-4-10-31-18)32(29,30)25-22(28)24-21-19-8-2-5-15(19)11-16-6-3-9-20(16)21/h11-13,18H,2-10,14H2,1H3,(H2,24,25,28)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29N5O4S
Molecular Weight 459.562
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
CX9WBK37GZ
Record Status Validated (UNII)
Record Version