Penicillin K

Properties Image MNX_ID MNXM20337 reference chebi:81064 formula C16H26N2O4S global charge 0 mol weight 342.461 InChIKey XVASOOUVMJAZNJ-MBNYWOFBSA-N InChI InChI=1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 SMILES CCCCCCCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O MNX internals InChI (mnx) InChI=1/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10](=[N:17][C@@H:11]1[C:13](=[O:20])[N:18]2[C@@H:12]([C:15](=[O:21])[OH:22])[C:16]([CH3:2])([CH3:3])[S:23][C@H:14]12)[OH:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0