(6R,7S,8S)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM173115 reference chebi:131049 formula C23H23N3O3 global charge 0 mol weight 389.455 InChIKey HIXZTRBEXPKGLV-MZKRTTBSSA-N InChI InChI=1S/C23H23N3O3/c1-2-21(28)25-13-19-23(20(15-27)26(19)22(29)14-25)18-9-7-16(8-10-18)5-6-17-4-3-11-24-12-17/h3-4,7-12,19-20,23,27H,2,13-15H2,1H3/t19-,20+,23-/m0/s1 SMILES CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](C3=CC=C(C#CC4=CN=CC=C4)C=C3)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C23H23N3O3/c1-2-21(28)25-13-19-23(20(15-27)26(19)22(29)14-25)18-9-7-16(8-10-18)5-6-17-4-3-11-24-12-17/h3-4,7-12,19-20,23,27H,2,13-15H2,1H3/t19-,20+,23-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][C:21]([N:25]1[CH2:13][C@H:19]2[C@H:23]([C:18]3=[CH:10][CH:8]=[C:16]([C:5]#[C:6][C:17]4=[CH:12][N:24]=[CH:11][CH:3]=[CH:4]4)[CH:7]=[CH:9]3)[C@@H:20]([CH2:15][OH:27])[N:26]2[C:22](=[O:29])[CH2:14]1)=[O:28]

Parent-child relations graph

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