1-[[(2R,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM341232 reference chebi:124520 formula C30H38N4O4 global charge 0 mol weight 518.658 InChIKey LGBCOYKUVBENAF-GGJMMHKRSA-N InChI InChI=1S/C30H38N4O4/c1-20-17-34(21(2)19-35)29(36)16-23-15-24(32(3)4)13-14-27(23)38-28(20)18-33(5)30(37)31-26-12-8-10-22-9-6-7-11-25(22)26/h6-15,20-21,28,35H,16-19H2,1-5H3,(H,31,37)/t20-,21+,28+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(N(C)C)=C2)O[C@H]1CN(C)C(=O)NC1=CC=CC2=CC=CC=C21 MNX internals InChI (mnx) InChI=1/C30H38N4O4/c1-20-17-34(21(2)19-35)29(36)16-23-15-24(32(3)4)13-14-27(23)38-28(20)18-33(5)30(37)31-26-12-8-10-22-9-6-7-11-25(22)26/h6-15,20-21,28,35H,16-19H2,1-5H3,(H,31,37)/t20-,21+,28+/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[CH2:17][N:34]([C@@H:21]([CH3:2])[CH2:19][OH:35])[C:29](=[O:36])[CH2:16][C:23]2=[C:27]([CH:14]=[CH:13][C:24]([N:32]([CH3:3])[CH3:4])=[CH:15]2)[O:38][C@H:28]1[CH2:18][N:33]([CH3:5])[C:30](=[N:31][C:26]1=[CH:12][CH:8]=[CH:10][C:22]2=[CH:9][CH:6]=[CH:7][CH:11]=[C:25]21)[OH:37]

Parent-child relations graph

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