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Cyclo[(aS)-a-amino-g-oxo-4-phenyl-1-piperazinebutanoyl-L-a-aspartyl-(2S)-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl-D-a-aspartyl], sodium salt (1:2) (157380-72-8)

Identification
Name:Cyclo[(aS)-a-amino-g-oxo-4-phenyl-1-piperazinebutanoyl-L-a-aspartyl-(2S)-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl-D-a-aspartyl], sodium salt (1:2)
Synonyms:Cyclo[(aS)-a-amino-g-oxo-4-phenyl-1-piperazinebutanoyl-L-a-aspartyl-(2S)-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl-D-a-aspartyl], disodium salt (9CI);Cyclo[4-oxo-4-(4-phenyl-1-piperazinyl)-L-2-aminobutanoyl-L-a-aspartyl-D-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl-D-a-aspartyl], disodium salt;1,4,7,10,13,16-Hexaazacyclooctadecane, cyclic peptide deriv.; TAK 044
CAS:157380-72-8
Molecular Formula: C45H53 N9 O11 S . 2 Na
Molecular Weight: 0
InChI: InChI=1/C45H53N9O11S.2Na/c1-25(2)19-30-40(60)47-31(20-26-24-46-29-12-7-6-11-28(26)29)41(61)49-33(22-37(56)57)43(63)48-32(21-36(55)54-16-14-53(15-17-54)27-9-4-3-5-10-27)42(62)50-34(23-38(58)59)44(64)52-39(45(65)51-30)35-13-8-18-66-35;;/h3-13,18,24-25,30-34,39,46H,14-17,19-23H2,1-2H3,(H,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,65)(H,52,64)(H,56,57)(H,58,59);;/q;2*+1/p-2/t30-,31+,32-,33+,34-,39+;;/m0../s1
Molecular Structure: (C45H53N9O11S.2Na) Cyclo[(aS)-a-amino-g-oxo-4-phenyl-1-piperazinebutanoyl-L-a-aspartyl-(2S)-2-(2-thienyl)glycyl-L-leucy...
Properties
Flash Point: 813.4°C
Boiling Point: 1421.4°Cat760mmHg
Density:g/cm3
Flash Point: 813.4°C
Safety Data
 

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