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

Properties Image MNX_ID MNXM173299 reference chebi:129171 formula C25H33N3O3 global charge 0 mol weight 423.557 InChIKey JRGGKERBHXAIAP-GPXNEJASSA-N InChI InChI=1S/C25H33N3O3/c1-2-14-26-25(31)27-15-21-24(22(17-29)28(21)23(30)16-27)20-12-10-19(11-13-20)9-5-8-18-6-3-4-7-18/h10-13,18,21-22,24,29H,2-4,6-8,14-17H2,1H3,(H,26,31)/t21-,22+,24+/m1/s1 SMILES CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@H](C1=CC=C(C#CCC3CCCC3)C=C1)[C@@H]2CO MNX internals InChI (mnx) InChI=1/C25H33N3O3/c1-2-14-26-25(31)27-15-21-24(22(17-29)28(21)23(30)16-27)20-12-10-19(11-13-20)9-5-8-18-6-3-4-7-18/h10-13,18,21-22,24,29H,2-4,6-8,14-17H2,1H3,(H,26,31)/t21-,22+,24+/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:14][N:26]=[C:25]([N:27]1[CH2:15][C@@H:21]2[C@H:24]([C:20]3=[CH:13][CH:11]=[C:19]([C:9]#[C:5][CH2:8][CH:18]4[CH2:6][CH2:3][CH2:4][CH2:7]4)[CH:10]=[CH:12]3)[C@H:22]([CH2:17][OH:29])[N:28]2[C:23](=[O:30])[CH2:16]1)[OH:31]

Parent-child relations graph

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