6-beta-iodopenicillanate

Properties Image MNX_ID MNXM38955 reference metacycM:CPD-9236 formula C8H9INO3S global charge -1 mol weight 326.135 InChIKey XWDSFLSFDJZQTM-ALEPSDHESA-M InChI InChI=1S/C8H10INO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/p-1/t3-,4+,6-/m1/s1 SMILES CC1(C)S[C@@H]2[C@H](I)C(=O)N2[C@H]1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H10INO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1 SMILES (mnx) [CH3:1][C:8]1([CH3:2])[C@H:4]([C:7](=[O:12])[OH:13])[N:10]2[C:5](=[O:11])[C@@H:3]([I:9])[C@H:6]2[S:14]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0