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Micafungin Open Ring Analog

SZ CAT No SZ-M022013
CAS No 539823-82-0
Mol.F. C56H70N9O23S : Na
Mol.Wt. 1269.3 : 23.0
Inv. Status Custom Synthesis
Rel. CAS No 708973-42-6 (free base)


Chemical Name: 5-((1S,2S,3S)-4-(((2S,3R)-5-amino-1-((2S,3S,4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl)-3-hydroxy-1,5-dioxopentan-2-yl)amino)-3-((2S,4R)-1-(((2S,4R)-4,5-dihydroxy-1-(4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoyl)pyrrolidine-2-carbonyl)-L-threonyl)-4-hydroxypyrrolidine-2-carboxamido)-1,2-dihydroxy-4-oxobutyl)-2-hydroxyphenyl hydrogen sulfate, sodium salt

Smiles: OC1=CC=C([C@H](O)[C@@H](O)[C@@H](C(N[C@H](C(N2[C@H](C(N)=O)[C@@H](O)[C@@H](C)C2)=O)[C@H](O)CC(N)=O)=O)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([C@H]4N(C(C5=CC=C(C6=NOC(C7=CC=C(OCCCCC)C=C7)=C6)C=C5)=O)C(O)[C@H](O)C4)=O)[C@H](O)C)=O)=O)C=C1OS([O-])(=O)=O.[Na+]

Inchi: InChI=1S/C22H25ClF2O3/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,25)18(28)9-20(13,2)19(11)17(27)10-23/h4-5,7,13-14,16,18,28H,6,8-10H2,1-3H3/t13-,14-,16-,18-,20-,21-,22-/m0/s1