1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(2-methoxyphenyl)urea

Properties Image MNX_ID MNXM339592 reference chebi:118185 formula C28H35N3O5 global charge 0 mol weight 493.604 InChIKey XNNPHUWWMNRDCG-QIGHUWCUSA-N InChI InChI=1S/C28H35N3O5/c1-35-25-10-6-5-9-23(25)29-28(34)30-24-12-11-22(36-26(24)19-32)18-27(33)31-15-13-21(14-16-31)17-20-7-3-2-4-8-20/h2-12,21-22,24,26,32H,13-19H2,1H3,(H2,29,30,34)/t22-,24-,26-/m1/s1 SMILES COC1=CC=CC=C1NC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCC(CC3=CC=CC=C3)CC2)O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C28H35N3O5/c1-35-25-10-6-5-9-23(25)29-28(34)30-24-12-11-22(36-26(24)19-32)18-27(33)31-15-13-21(14-16-31)17-20-7-3-2-4-8-20/h2-12,21-22,24,26,32H,13-19H2,1H3,(H2,29,30,34)/t22-,24-,26-/m1/s1 SMILES (mnx) [CH3:1][O:35][C:25]1=[CH:10][CH:6]=[CH:5][CH:9]=[C:23]1[N:29]=[C:28]([NH:30][C@@H:24]1[CH:12]=[CH:11][C@H:22]([CH2:18][C:27]([N:31]2[CH2:15][CH2:13][CH:21]([CH2:17][C:20]3=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]3)[CH2:14][CH2:16]2)=[O:33])[O:36][C@@H:26]1[CH2:19][OH:32])[OH:34]

Parent-child relations graph

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