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CAT No: R2501
CAS No: 1631160-47-8
Synonyms/Alias: Irucalantide;1631160-47-8;irucalantide [INN];OV42G2O3SQ;HY-P5536;DA-54386;CS-0886413;L-Cysteinamide, N-acetyl-S-[[3,5-bis(mercaptomethyl)phenyl]methyl]-L-cysteinyl-L-seryl-L-phenylalanyl-(2S)-2-azetidinecarbonyl-L-tyrosyl-N6-(aminoiminomethyl)-L-lysyl-L-cysteinyl-L-alanyl-psi(CH2-NH)-L-histidyl-L-glutaminyl-L-alpha-aspartyl-L-leucyl-, cyclic (1-->7),(1-->13)-bis(thioether);
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M.F/Formula | C76H106N20O18S3 |
M.W/Mr. | 1684 |
InChI | InChI=1S/C76H106N20O18S3/c1-40(2)22-53-68(107)94-58(64(78)103)36-115-33-45-23-46-25-47(24-45)35-117-38-60(72(111)85-41(3)30-83-52(28-48-31-81-39-84-48)67(106)88-51(17-18-62(77)100)66(105)90-55(29-63(101)102)70(109)89-53)95-65(104)50(12-8-9-20-82-76(79)80)87-69(108)54(26-44-13-15-49(99)16-14-44)91-74(113)61-19-21-96(61)75(114)56(27-43-10-6-5-7-11-43)92-71(110)57(32-97)93-73(112)59(37-116-34-46)86-42(4)98/h5-7,10-11,13-16,23-25,31,39-41,50-61,83,97,99H,8-9,12,17-22,26-30,32-38H2,1-4H3,(H2,77,100)(H2,78,103)(H,81,84)(H,85,111)(H,86,98)(H,87,108)(H,88,106)(H,89,109)(H,90,105)(H,91,113)(H,92,110)(H,93,112)(H,94,107)(H,95,104)(H,101,102)(H4,79,80,82)/t41-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 |
InChI Key | LTTOZAFALSJSEY-GEIPQBTESA-N |
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