1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

Properties Image MNX_ID MNXM339963 reference chebi:106846 formula C29H45N5O6 global charge 0 mol weight 559.708 InChIKey YDWJBUOXSRVMJV-BJZAYRLRSA-N InChI InChI=1S/C29H45N5O6/c1-18-15-34(19(2)17-35)28(36)24-14-23(30-29(37)31-27-21(4)32-40-22(27)5)11-12-25(24)39-20(3)10-8-9-13-38-26(18)16-33(6)7/h11-12,14,18-20,26,35H,8-10,13,15-17H2,1-7H3,(H2,30,31,37)/t18-,19+,20+,26-/m0/s1 SMILES CC1=NOC(C)=C1NC(=O)NC1=CC2=C(C=C1)O[C@H](C)CCCCO[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C29H45N5O6/c1-18-15-34(19(2)17-35)28(36)24-14-23(30-29(37)31-27-21(4)32-40-22(27)5)11-12-25(24)39-20(3)10-8-9-13-38-26(18)16-33(6)7/h11-12,14,18-20,26,35H,8-10,13,15-17H2,1-7H3,(H2,30,31,37)/t18-,19+,20+,26-/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:15][N:34]([C@H:19]([CH3:2])[CH2:17][OH:35])[C:28](=[O:36])[C:24]2=[CH:14][C:23]([N:30]=[C:29]([NH:31][C:27]3=[C:22]([CH3:5])[O:40][N:32]=[C:21]3[CH3:4])[OH:37])=[CH:11][CH:12]=[C:25]2[O:39][C@H:20]([CH3:3])[CH2:10][CH2:8][CH2:9][CH2:13][O:38][C@H:26]1[CH2:16][N:33]([CH3:6])[CH3:7]

Parent-child relations graph

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