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

Properties Image MNX_ID MNXM339381 reference chebi:102555 formula C21H31N3O5 global charge 0 mol weight 405.495 InChIKey LPRUTVLBIHKZIS-FHWLQOOXSA-N InChI InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18-,19-/m0/s1 SMILES COC1=CC=CC(NC(=O)N[C@H]2CC[C@@H](CC(=O)N3CCCCC3)O[C@H]2CO)=C1 MNX internals InChI (mnx) InChI=1/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18-,19-/m0/s1 SMILES (mnx) [CH3:1][O:28][C:16]1=[CH:7][CH:5]=[CH:6][C:15]([N:22]=[C:21]([NH:23][C@H:18]2[CH2:9][CH2:8][C@@H:17]([CH2:13][C:20]([N:24]3[CH2:10][CH2:3][CH2:2][CH2:4][CH2:11]3)=[O:26])[O:29][C@H:19]2[CH2:14][OH:25])[OH:27])=[CH:12]1

Parent-child relations graph

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