(6R,7R,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM172967 reference chebi:128964 formula C21H24N2O4 global charge 0 mol weight 368.433 InChIKey KVDPTJOHHVUPNF-WAOWUJCRSA-N InChI InChI=1S/C21H24N2O4/c1-27-13-20(26)22-10-17-21(18(12-24)23(17)19(25)11-22)16-8-6-15(7-9-16)5-4-14-2-3-14/h6-9,14,17-18,21,24H,2-3,10-13H2,1H3/t17-,18+,21+/m0/s1 SMILES COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](C3=CC=C(C#CC4CC4)C=C3)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C21H24N2O4/c1-27-13-20(26)22-10-17-21(18(12-24)23(17)19(25)11-22)16-8-6-15(7-9-16)5-4-14-2-3-14/h6-9,14,17-18,21,24H,2-3,10-13H2,1H3/t17-,18+,21+/m0/s1 SMILES (mnx) [CH3:1][O:27][CH2:13][C:20]([N:22]1[CH2:10][C@H:17]2[C@@H:21]([C:16]3=[CH:9][CH:7]=[C:15]([C:5]#[C:4][CH:14]4[CH2:2][CH2:3]4)[CH:6]=[CH:8]3)[C@@H:18]([CH2:12][OH:24])[N:23]2[C:19](=[O:25])[CH2:11]1)=[O:26]

Parent-child relations graph

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