(6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Properties Image MNX_ID MNXM173242 reference chebi:126827 formula C29H33N3O4 global charge 0 mol weight 487.6 InChIKey GTCWMVFGOIOCEG-STROYTFGSA-N InChI InChI=1S/C29H33N3O4/c1-36-24-11-5-10-23(16-24)30-29(35)31-17-25-28(26(19-33)32(25)27(34)18-31)22-14-12-21(13-15-22)9-4-8-20-6-2-3-7-20/h5,10-16,20,25-26,28,33H,2-3,6-8,17-19H2,1H3,(H,30,35)/t25-,26-,28-/m1/s1 SMILES COC1=CC=CC(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](C4=CC=C(C#CCC5CCCC5)C=C4)[C@H]3C2)=C1 MNX internals InChI (mnx) InChI=1/C29H33N3O4/c1-36-24-11-5-10-23(16-24)30-29(35)31-17-25-28(26(19-33)32(25)27(34)18-31)22-14-12-21(13-15-22)9-4-8-20-6-2-3-7-20/h5,10-16,20,25-26,28,33H,2-3,6-8,17-19H2,1H3,(H,30,35)/t25-,26-,28-/m1/s1 SMILES (mnx) [CH3:1][O:36][C:24]1=[CH:11][CH:5]=[CH:10][C:23]([N:30]=[C:29]([N:31]2[CH2:17][C@@H:25]3[C@@H:28]([C:22]4=[CH:15][CH:13]=[C:21]([C:9]#[C:4][CH2:8][CH:20]5[CH2:6][CH2:2][CH2:3][CH2:7]5)[CH:12]=[CH:14]4)[C@@H:26]([CH2:19][OH:33])[N:32]3[C:27](=[O:34])[CH2:18]2)[OH:35])=[CH:16]1

Parent-child relations graph

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