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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H38N2O9
Molecular Weight 642.6949
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIIL-315

SMILES

CC(C)(C1=CC=C(OCC2=CC(COC3=CC=C(C=C3)C(N)=N)=CC=C2)C=C1)C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C4

InChI

InChIKey=FIMQVXNJBFDOAA-RSENBJTISA-N
InChI=1S/C36H38N2O9/c1-36(2,25-10-16-28(17-11-25)46-35-31(41)29(39)30(40)32(47-35)34(42)43)24-8-14-27(15-9-24)45-20-22-5-3-4-21(18-22)19-44-26-12-6-23(7-13-26)33(37)38/h3-18,29-32,35,39-41H,19-20H2,1-2H3,(H3,37,38)(H,42,43)/t29-,30-,31+,32-,35+/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H38N2O9
Molecular Weight 642.6949
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
E54Z979K50
Record Status Validated (UNII)
Record Version