1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM339802 reference chebi:123516 formula C17H31N3O4 global charge 0 mol weight 341.452 InChIKey GTWYPIFYOHIWKX-SOUVJXGZSA-N InChI InChI=1S/C17H31N3O4/c1-12(2)18-17(23)19-14-7-6-13(24-15(14)11-21)10-16(22)20-8-4-3-5-9-20/h12-15,21H,3-11H2,1-2H3,(H2,18,19,23)/t13-,14-,15+/m0/s1 SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C17H31N3O4/c1-12(2)18-17(23)19-14-7-6-13(24-15(14)11-21)10-16(22)20-8-4-3-5-9-20/h12-15,21H,3-11H2,1-2H3,(H2,18,19,23)/t13-,14-,15+/m0/s1 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[N:18]=[C:17]([NH:19][C@H:14]1[CH2:7][CH2:6][C@@H:13]([CH2:10][C:16]([N:20]2[CH2:8][CH2:4][CH2:3][CH2:5][CH2:9]2)=[O:22])[O:24][C@@H:15]1[CH2:11][OH:21])[OH:23]

Parent-child relations graph

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