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Micafungin Impurity E

SZ CAT No SZ-M022011
CAS No 1392514-06-5
Mol.F. C56H70N9O22S : Na
Mol.Wt. 1253.3 : 23.0
Inv. Status Under Synthesis
Rel. CAS No 1392514-02-1 (free base)


Chemical Name: Sodium 5-((1S,2S)-2-((2R,6S,9S,12R,14aS,15S,16S,20S,23S,25aS)-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,12,15-trihydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-(4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzamido)tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl sulfate

Smiles: O=S(OC1=CC([C@H](O)[C@H]([C@H](NC([C@@](C[C@@H](O)C2)([H])N2C([C@H]([C@H](O)C)N3)=O)=O)C(N[C@@H]([C@H](O)CC(N)=O)C(N4[C@]([C@@H](O)[C@@H](C)C4)([H])C(N[C@H](O)CC[C@H](NC(C5=CC=C(C6=NOC(C7=CC=C(OCCCCC)C=C7)=C6)C=C5)=O)C3=O)=O)=O)=O)O)=CC=C1O)([O-])=O.[Na+]

Inchi: InChI=1S/C56H71N9O20/c1-4-5-6-17-84-32-14-11-28(12-15-32)40-21-33(63-85-40)27-7-9-29(10-8-27)49(76)58-34-20-39(71)52(79)62-54(81)45-46(73)25(2)23-65(45)56(83)43(38(70)22-41(57)72)60-53(80)44(48(75)47(74)30-13-16-36(68)37(69)18-30)61-51(78)35-19-31(67)24-64(35)55(82)42(26(3)66)59-50(34)77/h7-16,18,21,25-26,31,34-35,38-39,42-48,52,66-71,73-75,79H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,72)(H,58,76)(H,59,77)(H,60,80)(H,61,78)(H,62,81)/t25-,26+,31+,34-,35-,38+,39+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1