NSC64453
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Creator
US National Cancer Institute
Publication Date
2005-08-23Alternative Title
L-Alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-N-[[4-(dimethylamino)-1,4, 4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1, 11-dioxo-2-naphthacenecarboxamido]methyl]-
L-Phenylalanine, 4-[bis(2-chloroethyl)amino]-N-[[[[4-(dimethylamino)-1,4,4a,5,5a,6, 11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1, 11-dioxo-2-naphthacenyl]carbonyl]amino]methyl]-, [4S-(4.alpha., 4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-
Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
Show full item recordIdentifiers
NSC64453
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/59239
IUPAC Chemical Identifier (IChI): C36H42Cl2N4O10,1H3-35(51H)20-5H-4H-6H-21(47H)22(20)25(43)24-28(49H)36(52H)27(44)23(26(48H)34H(41(2H3)3H3)33H(36)16H2-31H(24)35)29(45)39H-17H2-40H-32H(30(46)50H)15H2-18-7H-9H-19(10H-8H-18)42(13H2-11H2-37)14H2-12H2-38
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C36H42Cl2N4O10/c1-35(51)20-5-4-6-24(43)25(20)29(44)26-21(35)16-22-28(41(2)3)30(45)27(32(47)36(22,52)31(26)46)33(48)40-17-39-23(34(49)50)15-18-7-9-19(10-8-18)42(13-11-37)14-12-38/h4-10,21-23,28,39,43,45-46,51-52H,11-17H2,1-3H3,(H,40,48)(H,49,50)/t21-,22-,23+,28-,35+,36-/m0/s1
IUPAC/NIST Chemical Identifier Key (INChI): YTYJVUKPLORIGH-ISDUDWLGSA-N