Vancomycin Aglycon

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Molecular Formula	C₅₃H₅₂Cl₂N₈O₁₇
CAS Number	82198-76-3

FC-0507568

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IUPAC Name	(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
SMILES	CC(C)CC(C(=O)NC1C(C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)C(C(=O)N6)NC(=O)C4NC(=O)C(NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC
InChI Key	JHIKFOISFAQTJQ-YZANBJIASA-N