1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM339375 reference chebi:120259 formula C19H31N3O5S global charge 0 mol weight 413.54 InChIKey WDDVSYGCEMHEAU-BZSNNMDCSA-N InChI InChI=1S/C19H31N3O5S/c1-14(2)21-19(24)22-17-9-8-16(27-18(17)12-23)10-11-20-28(25,26)13-15-6-4-3-5-7-15/h3-7,14,16-18,20,23H,8-13H2,1-2H3,(H2,21,22,24)/t16-,17-,18-/m0/s1 SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CCNS(=O)(=O)CC2=CC=CC=C2)O[C@H]1CO MNX internals InChI (mnx) InChI=1/C19H31N3O5S/c1-14(2)21-19(24)22-17-9-8-16(27-18(17)12-23)10-11-20-28(25,26)13-15-6-4-3-5-7-15/h3-7,14,16-18,20,23H,8-13H2,1-2H3,(H2,21,22,24)/t16-,17-,18-/m0/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[N:21]=[C:19]([NH:22][C@H:17]1[CH2:9][CH2:8][C@@H:16]([CH2:10][CH2:11][NH:20][S:28]([CH2:13][C:15]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)(=[O:25])=[O:26])[O:27][C@H:18]1[CH2:12][OH:23])[OH:24]

Parent-child relations graph

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