1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM339631 reference chebi:124881 formula C28H34N4O4 global charge 0 mol weight 490.604 InChIKey INADRKJOEXIRSH-LZJCXSABSA-N InChI InChI=1S/C28H34N4O4/c1-18-15-32(19(2)17-33)27(34)23-14-21(12-13-25(23)36-26(18)16-31(3)4)29-28(35)30-24-11-7-9-20-8-5-6-10-22(20)24/h5-14,18-19,26,33H,15-17H2,1-4H3,(H2,29,30,35)/t18-,19-,26+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC4=CC=CC=C43)=C2)O[C@@H]1CN(C)C MNX internals InChI (mnx) InChI=1/C28H34N4O4/c1-18-15-32(19(2)17-33)27(34)23-14-21(12-13-25(23)36-26(18)16-31(3)4)29-28(35)30-24-11-7-9-20-8-5-6-10-22(20)24/h5-14,18-19,26,33H,15-17H2,1-4H3,(H2,29,30,35)/t18-,19-,26+/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:15][N:32]([C@@H:19]([CH3:2])[CH2:17][OH:33])[C:27](=[O:34])[C:23]2=[C:25]([CH:13]=[CH:12][C:21]([N:29]=[C:28]([NH:30][C:24]3=[CH:11][CH:7]=[CH:9][C:20]4=[CH:8][CH:5]=[CH:6][CH:10]=[C:22]43)[OH:35])=[CH:14]2)[O:36][C@@H:26]1[CH2:16][N:31]([CH3:3])[CH3:4]

Parent-child relations graph

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