(6S,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM173364 reference chebi:128263 formula C28H31N3O3 global charge 0 mol weight 457.574 InChIKey LTPPVAHCAPZBBO-SKVJQKLOSA-N InChI InChI=1S/C28H31N3O3/c32-19-25-28(23-12-10-21(11-13-23)9-8-20-5-2-1-3-6-20)24-17-30(18-27(34)31(24)25)26(33)15-22-7-4-14-29-16-22/h4,7,10-14,16,20,24-25,28,32H,1-3,5-6,15,17-19H2/t24-,25-,28+/m1/s1 SMILES O=C(CC1=CN=CC=C1)N1CC(=O)N2[C@H](CO)[C@@H](C3=CC=C(C#CC4CCCCC4)C=C3)[C@H]2C1 MNX internals InChI (mnx) InChI=1/C28H31N3O3/c32-19-25-28(23-12-10-21(11-13-23)9-8-20-5-2-1-3-6-20)24-17-30(18-27(34)31(24)25)26(33)15-22-7-4-14-29-16-22/h4,7,10-14,16,20,24-25,28,32H,1-3,5-6,15,17-19H2/t24-,25-,28+/m1/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:5][CH:20]([C:8]#[C:9][C:21]2=[CH:11][CH:13]=[C:23]([C@H:28]3[C@H:24]4[CH2:17][N:30]([C:26]([CH2:15][C:22]5=[CH:16][N:29]=[CH:14][CH:4]=[CH:7]5)=[O:33])[CH2:18][C:27](=[O:34])[N:31]4[C@@H:25]3[CH2:19][OH:32])[CH:12]=[CH:10]2)[CH2:6][CH2:3]1

Parent-child relations graph

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