(6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Properties Image MNX_ID MNXM1107873 reference chebi:94604 formula C20H20N6O9S global charge 0 mol weight 520.48 InChIKey JWCSIUVGFCSJCK-LIUKBUMOSA-N InChI InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12-,18-,20+/m1/s1 SMILES CO[C@@]1(NC(=O)[C@H](C(=O)O)C2=CC=C(O)C=C2)C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CO[C@@H]21 MNX internals InChI (mnx) InChI=1/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12-,18-,20+/m1/s1 SMILES (mnx) [CH3:1][N:25]1[C:19]([S:36][CH2:8][C:10]2=[C:13]([C:16](=[O:31])[OH:32])[N:26]3[C:17](=[O:33])[C@:20]([N:21]=[C:14]([C@@H:12]([C:9]4=[CH:4][CH:6]=[C:11]([OH:27])[CH:5]=[CH:3]4)[C:15](=[O:29])[OH:30])[OH:28])([O:34][CH3:2])[C@H:18]3[O:35][CH2:7]2)=[N:22][N:23]=[N:24]1

Parent-child relations graph

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