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AG008TP8

108212-76-6 | N-Acetyl-Calicheamicin

Chemical structure of N-Acetyl-Calicheamicin, CAS 108212-76-6
AG008TP8
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CAS Number 108212-76-6
Catalog Number AG008TP8(AGN-PC-0OY6CN)
Chemical Name N-Acetyl-Calicheamicin
IUPAC Name S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R,6R)-5-[(2S,4S,5S)-5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(2S,5Z,9R,13E)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate
InChI InChI=1S/C57H76IN3O22S4/c1-13-61(30(6)62)32-25-76-37(23-36(32)71-7)81-50-45(66)42(27(3)78-55(50)80-35-18-16-14-15-17-20-57(70)24-34(64)43(59-56(69)75-11)40(35)31(57)19-21-85-87-84-12)60-83-38-22-33(63)52(29(5)77-38)86-53(68)39-26(2)41(58)48(51(74-10)47(39)72-8)82-54-46(67)49(73-9)44(65)28(4)79-54/h14-15,19,27-29,32-33,35-38,42,44-46,49-50,52,54-55,60,63,65-67,70H,13,21-25H2,1-12H3,(H,59,69)/b15-14-,31-19+/t27-,28+,29-,32+,33+,35+,36+,37+,38+,42-,44+,45+,46-,49-,50-,52-,54+,55+,57+/m1/s1
InChI Key WPDOZYZAJKUVRZ-IOCYQWGVSA-N
MDL Number MFCD29924715
Molecular Formula C57H76IN3O22S4
Molecular Weight 1410.3847
SMILES C(=C1/[C@@]2(C#CC=CC#C[C@H](O[C@]3([H])O[C@H](C)[C@@H](NO[C@@H]4O[C@H](C)[C@@H](SC(C5C(=C(I)C(O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]6O)=C(OC)C=5OC)C)=O)[C@@H](O)C4)[C@H](O)[C@H]3O[C@]3([H])OC[C@H](N(CC)C(=O)C)[C@@H](OC)C3)C/1=C(C(=O)C2)NC(=O)OC)O)CSSSC
Synonyms
N-Acetyl-Calicheamicin, 108212-76-6, AKOS030526241, CS-5417, HY-19791,

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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
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    Reviewed by:Jessie
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    Angene International Limited