(3R,9S,10R)-16-amino-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

Properties Image MNX_ID MNXM172164 reference chebi:111093 formula C22H37N3O4 global charge 0 mol weight 407.555 InChIKey XRGBJGDCXQTJDT-BZLDKRAPSA-N InChI InChI=1S/C22H37N3O4/c1-15-13-25(16(2)14-26)22(27)19-11-18(23)8-9-20(19)29-17(3)7-5-6-10-28-21(15)12-24-4/h8-9,11,15-17,21,24,26H,5-7,10,12-14,23H2,1-4H3/t15-,16-,17-,21-/m1/s1 SMILES CNC[C@H]1OCCCC[C@@H](C)OC2=C(C=C(N)C=C2)C(=O)N([C@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C22H37N3O4/c1-15-13-25(16(2)14-26)22(27)19-11-18(23)8-9-20(19)29-17(3)7-5-6-10-28-21(15)12-24-4/h8-9,11,15-17,21,24,26H,5-7,10,12-14,23H2,1-4H3/t15-,16-,17-,21-/m1/s1 SMILES (mnx) [CH3:1][C@@H:15]1[CH2:13][N:25]([C@H:16]([CH3:2])[CH2:14][OH:26])[C:22](=[O:27])[C:19]2=[CH:11][C:18]([NH2:23])=[CH:8][CH:9]=[C:20]2[O:29][C@H:17]([CH3:3])[CH2:7][CH2:5][CH2:6][CH2:10][O:28][C@@H:21]1[CH2:12][NH:24][CH3:4]

Parent-child relations graph

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