(2R)-2-[(4R,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

Properties Image MNX_ID MNXM170212 reference chebi:128888 formula C27H36N2O4S global charge 0 mol weight 484.662 InChIKey FHRVLXHWRIRKLN-IPVFLDMMSA-N InChI InChI=1S/C27H36N2O4S/c1-20-16-29(21(2)19-30)34(31,32)27-14-13-24(23-11-7-8-12-23)15-25(27)33-26(20)18-28(3)17-22-9-5-4-6-10-22/h4-6,9-11,13-15,20-21,26,30H,7-8,12,16-19H2,1-3H3/t20-,21-,26-/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)S(=O)(=O)C2=C(C=C(C3=CCCC3)C=C2)O[C@@H]1CN(C)CC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C27H36N2O4S/c1-20-16-29(21(2)19-30)34(31,32)27-14-13-24(23-11-7-8-12-23)15-25(27)33-26(20)18-28(3)17-22-9-5-4-6-10-22/h4-6,9-11,13-15,20-21,26,30H,7-8,12,16-19H2,1-3H3/t20-,21-,26-/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[CH2:16][N:29]([C@H:21]([CH3:2])[CH2:19][OH:30])[S:34](=[O:31])(=[O:32])[C:27]2=[C:25]([CH:15]=[C:24]([C:23]3=[CH:11][CH2:7][CH2:8][CH2:12]3)[CH:13]=[CH:14]2)[O:33][C@@H:26]1[CH2:18][N:28]([CH3:3])[CH2:17][C:22]1=[CH:9][CH:5]=[CH:4][CH:6]=[CH:10]1

Parent-child relations graph

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