7a-Hydroxy-o-carbamoyl-deacetylcephalosporin C

Properties Image MNX_ID MNXM5030 reference chebi:2286 formula C15H20N4O9S global charge 0 mol weight 432.411 InChIKey JMCGENBWRIPSAH-LNSLMCEBSA-N InChI InChI=1S/C15H20N4O9S/c16-7(10(21)22)2-1-3-8(20)18-15(27)12(25)19-9(11(23)24)6(4-28-14(17)26)5-29-13(15)19/h7,13,27H,1-5,16H2,(H2,17,26)(H,18,20)(H,21,22)(H,23,24)/t7-,13-,15+/m1/s1 SMILES NC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@](O)(NC(=O)CCC[C@@H](N)C(=O)O)[C@H]2SC1 MNX internals InChI (mnx) InChI=1/C15H20N4O9S/c16-7(10(21)22)2-1-3-8(20)18-15(27)12(25)19-9(11(23)24)6(4-28-14(17)26)5-29-13(15)19/h7,13,27H,1-5,16H2,(H2,17,26)(H,18,20)(H,21,22)(H,23,24)/t7-,13-,15+/m1/s1 SMILES (mnx) [CH2:1]([CH2:2][C@H:7]([C:10](=[O:21])[OH:22])[NH2:16])[CH2:3][C:8](=[N:18][C@:15]1([OH:27])[C:12](=[O:25])[N:19]2[C:9]([C:11](=[O:23])[OH:24])=[C:6]([CH2:4][O:28][C:14](=[NH:17])[OH:26])[CH2:5][S:29][C@H:13]12)[OH:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0