(6S,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM173383 reference chebi:129628 formula C25H28N2O4S global charge 0 mol weight 452.576 InChIKey YGJZTJCUYCBWQH-RQTOMXEWSA-N InChI InChI=1S/C25H28N2O4S/c1-3-4-5-9-19-11-13-20(14-12-19)25-21-15-26(16-24(29)27(21)22(25)17-28)32(30,31)23-10-7-6-8-18(23)2/h6-8,10-14,21-22,25,28H,3-4,15-17H2,1-2H3/t21-,22-,25+/m1/s1 SMILES CCCC#CC1=CC=C([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)C4=CC=CC=C4C)C[C@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C25H28N2O4S/c1-3-4-5-9-19-11-13-20(14-12-19)25-21-15-26(16-24(29)27(21)22(25)17-28)32(30,31)23-10-7-6-8-18(23)2/h6-8,10-14,21-22,25,28H,3-4,15-17H2,1-2H3/t21-,22-,25+/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][C:5]#[C:9][C:19]1=[CH:12][CH:14]=[C:20]([C@H:25]2[C@H:21]3[CH2:15][N:26]([S:32]([C:23]4=[CH:10][CH:7]=[CH:6][CH:8]=[C:18]4[CH3:2])(=[O:30])=[O:31])[CH2:16][C:24](=[O:29])[N:27]3[C@@H:22]2[CH2:17][OH:28])[CH:13]=[CH:11]1

Parent-child relations graph

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