(6S,7S,8S)-N-cyclohexyl-8-(hydroxymethyl)-2-oxo-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Properties Image MNX_ID MNXM173411 reference chebi:127674 formula C25H30N4O3 global charge 0 mol weight 434.54 InChIKey UNAUWIBTTZCXBK-AKFKNWHVSA-N InChI InChI=1S/C25H30N4O3/c30-16-22-24(19-8-6-17(7-9-19)18-10-12-26-13-11-18)21-14-28(15-23(31)29(21)22)25(32)27-20-4-2-1-3-5-20/h6-13,20-22,24,30H,1-5,14-16H2,(H,27,32)/t21-,22-,24+/m1/s1 SMILES O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](C3=CC=C(C4=CC=NC=C4)C=C3)[C@H]2C1 MNX internals InChI (mnx) InChI=1/C25H30N4O3/c30-16-22-24(19-8-6-17(7-9-19)18-10-12-26-13-11-18)21-14-28(15-23(31)29(21)22)25(32)27-20-4-2-1-3-5-20/h6-13,20-22,24,30H,1-5,14-16H2,(H,27,32)/t21-,22-,24+/m1/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH:20]([N:27]=[C:25]([N:28]2[CH2:14][C@@H:21]3[C@H:24]([C:19]4=[CH:9][CH:7]=[C:17]([C:18]5=[CH:11][CH:13]=[N:26][CH:12]=[CH:10]5)[CH:6]=[CH:8]4)[C@@H:22]([CH2:16][OH:30])[N:29]3[C:23](=[O:31])[CH2:15]2)[OH:32])[CH2:5][CH2:3]1

Parent-child relations graph

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