First International Standard for Sisomicin

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CAT	APB53179092
CAS	53179-09-2
Structure
Synonyms	Antibiotic 66-40 sulfate
IUPAC Name	(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
Molecular Weight	1385.45
Molecular Formula	2C19H37N5O7·5H2O4S
Canonical SMILES	CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CN)[C@@H]2O)OC[C@]1(C)O.CN[C@@H]4[C@@H](O)[C@@H](O[C@H]5[C@H](N)C[C@H](N)[C@@H](O[C@H]6OC(=CC[C@H]6N)CN)[C@@H]5O)OC[C@]4(C)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
InChI	InChI=1S/2C19H37N5O7.5H2O4S/c21-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;51-5(2,3)4/h23,9-18,24-27H,4-7,20-23H2,1-2H3;5(H2,1,2,3,4)/t2*9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+;;;;;/m11...../s1

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