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Details

Stereochemistry ACHIRAL
Molecular Formula C41H32N6O29S8
Molecular Weight 1329.236
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NF-449

SMILES

OS(=O)(=O)C1=CC=C(NC(=O)C2=CC(=CC(NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=CC=C(C=C4S(O)(=O)=O)S(O)(=O)=O)C(=O)NC5=CC=C(C=C5S(O)(=O)=O)S(O)(=O)=O)=C2)C(=O)NC6=CC=C(C=C6S(O)(=O)=O)S(O)(=O)=O)C(=C1)S(O)(=O)=O

InChI

InChIKey=FXAIVMYRMNONEG-UHFFFAOYSA-N
InChI=1S/C41H32N6O29S8/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)

HIDE SMILES / InChI

Molecular Formula C41H32N6O29S8
Molecular Weight 1329.236
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
RV4PVU9V2A
Record Status Validated (UNII)
Record Version