1-[(2R,3S,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea

Properties Image MNX_ID MNXM339388 reference chebi:100902 formula C22H29N3O6S global charge 0 mol weight 463.556 InChIKey XDPGLRIFEVLTPI-LRQRDZAKSA-N InChI InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19-,21-/m0/s1 SMILES COC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](CCNS(=O)(=O)C2=CC=CC=C2)O[C@H]1CO MNX internals InChI (mnx) InChI=1/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19-,21-/m0/s1 SMILES (mnx) [CH3:1][O:30][C:20]1=[CH:10][CH:6]=[CH:5][CH:9]=[C:18]1[N:24]=[C:22]([NH:25][C@H:19]1[CH2:12][CH2:11][C@@H:16]([CH2:13][CH2:14][NH:23][S:32]([C:17]2=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]2)(=[O:28])=[O:29])[O:31][C@H:21]1[CH2:15][OH:26])[OH:27]

Parent-child relations graph

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