cefacetrile

Properties Image MNX_ID MNXM103578 reference chebi:135437 formula C13H13N3O6S global charge 0 mol weight 339.329 InChIKey RRYMAQUWDLIUPV-BXKDBHETSA-N InChI InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1 SMILES CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CC#N)[C@H]2SC1 MNX internals InChI (mnx) InChI=1/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1 SMILES (mnx) [CH3:1][C:6](=[O:17])[O:22][CH2:4][C:7]1=[C:10]([C:13](=[O:20])[OH:21])[N:16]2[C:11](=[O:19])[C@@H:9]([N:15]=[C:8]([CH2:2][C:3]#[N:14])[OH:18])[C@H:12]2[S:23][CH2:5]1

Parent-child relations graph

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