U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32N6O14
Molecular Weight 616.532
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of POLYOXIN A

SMILES

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)N2C=C(CO)C(=O)NC2=O)[C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(N)=O)C(=O)N3C\C(=C\C)[C@H]3C(O)=O

InChI

InChIKey=PQAGMWMKVWTHJU-ATETYRDMSA-N
InChI=1S/C23H32N6O14/c1-2-7-3-28(12(7)21(38)39)19(37)11(26-18(36)10(24)13(32)9(31)6-42-22(25)40)16-14(33)15(34)20(43-16)29-4-8(5-30)17(35)27-23(29)41/h2,4,9-16,20,30-34H,3,5-6,24H2,1H3,(H2,25,40)(H,26,36)(H,38,39)(H,27,35,41)/b7-2-/t9-,10-,11-,12-,13+,14-,15+,16+,20+/m0/s1

HIDE SMILES / InChI

Approval Year