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Details

Stereochemistry ACHIRAL
Molecular Formula C32H46N4O4
Molecular Weight 550.732
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Igermetostat

SMILES

CCN(C1CCOCC1)C2=C(C)C(=CC(O[C@H]3C[C@@H](C3)N4CCCCC4)=C2)C(=O)NCC5=C(C)C=C(C)NC5=O

InChI

InChIKey=YGNGDDWFJFOIGX-DIVCQZSQSA-N
InChI=1S/C32H46N4O4/c1-5-36(24-9-13-39-14-10-24)30-19-27(40-26-16-25(17-26)35-11-7-6-8-12-35)18-28(23(30)4)31(37)33-20-29-21(2)15-22(3)34-32(29)38/h15,18-19,24-26H,5-14,16-17,20H2,1-4H3,(H,33,37)(H,34,38)/t25-,26-

HIDE SMILES / InChI

Molecular Formula C32H46N4O4
Molecular Weight 550.732
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
2KES6YSH8D
Record Status Validated (UNII)
Record Version