(6R,7S,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM173130 reference chebi:128976 formula C22H28N2O3 global charge 0 mol weight 368.477 InChIKey JEIGSWUEAJXIOX-JQVVWYNYSA-N InChI InChI=1S/C22H28N2O3/c1-4-20(26)23-12-18-22(19(14-25)24(18)21(27)13-23)17-10-8-16(9-11-17)7-5-6-15(2)3/h8-11,15,18-19,22,25H,4,6,12-14H2,1-3H3/t18-,19+,22-/m0/s1 SMILES CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](C3=CC=C(C#CCC(C)C)C=C3)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C22H28N2O3/c1-4-20(26)23-12-18-22(19(14-25)24(18)21(27)13-23)17-10-8-16(9-11-17)7-5-6-15(2)3/h8-11,15,18-19,22,25H,4,6,12-14H2,1-3H3/t18-,19+,22-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C:20]([N:23]1[CH2:12][C@H:18]2[C@H:22]([C:17]3=[CH:11][CH:9]=[C:16]([C:7]#[C:5][CH2:6][CH:15]([CH3:2])[CH3:3])[CH:8]=[CH:10]3)[C@@H:19]([CH2:14][OH:25])[N:24]2[C:21](=[O:27])[CH2:13]1)=[O:26]

Parent-child relations graph

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