BUTIROSIN B DISULFATE DIHYDATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H41N5O12.2H2O.2H2O4S
Molecular Weight	787.764
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTIROSIN B DISULFATE DIHYDATE

SMILES

O.O.OS(O)(=O)=O.OS(O)(=O)=O.[H][C@@]3(O[C@@H]1[C@@H](O)[C@@H](C[C@H](N)[C@H]1O[C@@]2([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)NC(=O)[C@@H](O)CCN)O[C@H](CO)[C@@H](O)[C@H]3O

InChI

InChIKey=IUQWHBUMCWSQIM-HCSFWZNSSA-N

InChI=1S/C21H41N5O12.2H2O4S.2H2O/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21;2*1-5(2,3)4;;/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34);2*(H2,1,2,3,4);2*1H2/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21-;;;;/m0..../s1

HIDE SMILES / InChI