U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C33H42I6N6O14
Molecular Weight 1508.1452
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(ACETYL(3-((3,5-BIS((2,3-DIHYDROXYPROPYL)CARBAMOYL)-2,4,6-TRIIODOPHENYL)AMINO)-2-HYDROXYPROPYL)AMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE

SMILES

CC(=O)N(CC(O)CNC1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C2=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C2I

InChI

InChIKey=RREZWVKPVJDLJN-UHFFFAOYSA-N
InChI=1S/C33H42I6N6O14/c1-12(50)45(29-26(38)20(32(58)43-5-16(54)10-48)23(35)21(27(29)39)33(59)44-6-17(55)11-49)7-13(51)2-40-28-24(36)18(30(56)41-3-14(52)8-46)22(34)19(25(28)37)31(57)42-4-15(53)9-47/h13-17,40,46-49,51-55H,2-11H2,1H3,(H,41,56)(H,42,57)(H,43,58)(H,44,59)

HIDE SMILES / InChI

Molecular Formula C33H42I6N6O14
Molecular Weight 1508.1452
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8H82345SLO
Record Status Validated (UNII)
Record Version