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Mersacidin (9CI) (128104-18-7)

Identification
Name:Mersacidin (9CI)
Synonyms:1,4-Thiazepine,cyclic peptide deriv.;1H-Pyrrolo[2,1-u][1,4,7,10,13,16,19,22,25]thiaoctaazacyclooctacosine, cyclicpeptide deriv.;9,19-Dithia-2,5,13,16,22,25,28-heptaazabicyclo[9.9.8]octacosane, cyclic peptidederiv.; 21: PN: US20090203583 SEQID: 21 claimed sequence; Stereoisomer ofL-cysteinyl-threo-3-mercapto-D-2-aminobutanoyl-L-phenylalanyl-threo-3-mercapto-D-2-aminobutanoyl-L-leucyl-L-prolylglycylglycylglycylglycyl-L-valyl-L-cysteinyl-threo-3-mercapto-D-2-aminobutanoyl-L-leucyl-threo-3-mercapto-D-2-aminobutanoyl-2,3-didehydroalanyl-L-a-glutamyl-L-cysteinyl-N-(2-mercaptoethenyl)-L-isoleucinamidecyclic (1®2),(4®12),(13®18),(15®19)-tetrakis(sulfide)
CAS:128104-18-7
Molecular Formula: C80H120 N20 O21 S4
Molecular Weight: 1826.21
InChI: InChI=1/C80H128N20O21S4/c1-15-43(12)65(79(120)87-45(14)125)99-76(117)57(39-124)96-72(113)52(27-28-63(105)106)92-66(107)44(13)86-68(109)48(16-2)89-73(114)53(30-40(6)7)93-70(111)50(18-4)91-75(116)56(38-123)97-78(119)64(42(10)11)98-62(104)36-84-60(102)34-82-59(101)33-83-61(103)35-85-77(118)58-26-23-29-100(58)80(121)55(31-41(8)9)95-71(112)51(19-5)90-74(115)54(32-46-24-21-20-22-25-46)94-69(110)49(17-3)88-67(108)47(81)37-122/h20-22,24-25,40-43,47-58,64-65,122-125H,13-19,23,26-39,81H2,1-12H3,(H,82,101)(H,83,103)(H,84,102)(H,85,118)(H,86,109)(H,87,120)(H,88,108)(H,89,114)(H,90,115)(H,91,116)(H,92,107)(H,93,111)(H,94,110)(H,95,112)(H,96,113)(H,97,119)(H,98,104)(H,99,117)(H,105,106)/t43-,47-,48-,49+,50+,51+,52-,53-,54-,55-,56-,57-,58-,64-,65-/m0/s1
Molecular Structure: (C80H120N20O21S4) 1,4-Thiazepine,cyclic peptide deriv.;1H-Pyrrolo[2,1-u][1,4,7,10,13,16,19,22,25]thiaoctaazacyclooctac...
Properties
Safety Data