NSC90595
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Creator
US National Cancer Institute
Publication Date
2005-08-25Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
Show full item recordIdentifiers
NSC90595
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/77386
IUPAC Chemical Identifier (IChI): C58H80N10O10S2,1H3-37-10H-14H-40(15H-11H-37)79(73,74)66H-46(59H)61H-32H2-20H2-23H2-50H(65H-48(72)78-36H2-39-8H-6H-5H-7H-9H-39)43(69)63H-51H(24H2-21H2-33H2-62H-47(60H)67H-80(75,76)41-16H-12H-38(2H3)13H-17H-41)45(71)68-34H2-22H2-25H2-52H(68)44(70)64H-56H-27H2-26H2-55H-53H-19H2-18H-42-35H2-49H(77H)28H2-30H2-57(42,3H3)54H(53)29H2-31H2-58(55,56)4H3
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C58H80N10O10S2/c1-37-16-21-42(22-17-37)79(74,75)66-54(59)61-32-8-13-47(64-56(73)78-36-39-11-6-5-7-12-39)51(70)63-48(14-9-33-62-55(60)67-80(76,77)43-23-18-38(2)19-24-43)53(72)68-34-10-15-49(68)52(71)65-50-27-26-45-44-25-20-40-35-41(69)28-30-57(40,3)46(44)29-31-58(45,50)4/h5-7,11-12,16-24,41,44-50,69H,8-10,13-15,25-36H2,1-4H3,(H,63,70)(H,64,73)(H,65,71)(H3,59,61,66)(H3,60,62,67)/t41-,44-,45-,46-,47-,48+,49-,50-,57-,58-/m0/s1
IUPAC/NIST Chemical Identifier Key (INChI): JLUNECDXGGCINP-JKBXIJAYSA-N