1-[[(2S,3R,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea

Properties Image MNX_ID MNXM341445 reference chebi:128146 formula C23H33N3O3 global charge 0 mol weight 399.535 InChIKey ICLDRKSGEYCSHN-YPAWHYETSA-N InChI InChI=1S/C23H33N3O3/c1-3-13-24-23(29)25-14-20-22(21(15-27)26(20)16(2)28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h7,9-12,20-22,27H,3-6,8,13-15H2,1-2H3,(H2,24,25,29)/t20-,21-,22-/m1/s1 SMILES CCCNC(=O)NC[C@@H]1[C@@H](C2=CC=C(C3=CCCCC3)C=C2)[C@@H](CO)N1C(C)=O MNX internals InChI (mnx) InChI=1/C23H33N3O3/c1-3-13-24-23(29)25-14-20-22(21(15-27)26(20)16(2)28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h7,9-12,20-22,27H,3-6,8,13-15H2,1-2H3,(H2,24,25,29)/t20-,21-,22-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:13][N:24]=[C:23]([NH:25][CH2:14][C@@H:20]1[C@@H:22]([C:19]2=[CH:12][CH:10]=[C:18]([C:17]3=[CH:7][CH2:5][CH2:4][CH2:6][CH2:8]3)[CH:9]=[CH:11]2)[C@@H:21]([CH2:15][OH:27])[N:26]1[C:16]([CH3:2])=[O:28])[OH:29]

Parent-child relations graph

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