(2R,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one

Properties Image MNX_ID MNXM170366 reference chebi:111546 formula C18H29N3O3 global charge 0 mol weight 335.448 InChIKey XJHVRUWFSLOUIR-IOASZLSFSA-N InChI InChI=1S/C18H29N3O3/c1-12-10-21(13(2)11-22)18(23)14-7-6-8-15(20(4)5)17(14)24-16(12)9-19-3/h6-8,12-13,16,19,22H,9-11H2,1-5H3/t12-,13-,16+/m1/s1 SMILES CNC[C@@H]1OC2=C(C=CC=C2N(C)C)C(=O)N([C@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C18H29N3O3/c1-12-10-21(13(2)11-22)18(23)14-7-6-8-15(20(4)5)17(14)24-16(12)9-19-3/h6-8,12-13,16,19,22H,9-11H2,1-5H3/t12-,13-,16+/m1/s1 SMILES (mnx) [CH3:1][C@@H:12]1[CH2:10][N:21]([C@H:13]([CH3:2])[CH2:11][OH:22])[C:18](=[O:23])[C:14]2=[C:17]([C:15]([N:20]([CH3:4])[CH3:5])=[CH:8][CH:6]=[CH:7]2)[O:24][C@H:16]1[CH2:9][NH:19][CH3:3]

Parent-child relations graph

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