1-[[(3R,9R,10R)-16-[[(cyclohexylamino)-oxomethyl]amino]-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-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea

Properties Image MNX_ID MNXM341569 reference chebi:125995 formula C36H52FN5O6 global charge 0 mol weight 669.839 InChIKey YUMPKBOHFCUQDK-WCPDHXNLSA-N InChI InChI=1S/C36H52FN5O6/c1-24-21-42(25(2)23-43)34(44)31-20-30(39-35(45)38-28-11-6-5-7-12-28)17-18-32(31)48-26(3)10-8-9-19-47-33(24)22-41(4)36(46)40-29-15-13-27(37)14-16-29/h13-18,20,24-26,28,33,43H,5-12,19,21-23H2,1-4H3,(H,40,46)(H2,38,39,45)/t24-,25-,26-,33+/m1/s1 SMILES C[C@@H]1CCCCO[C@@H](CN(C)C(=O)NC2=CC=C(F)C=C2)[C@H](C)CN([C@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3CCCCC3)=C2)O1 MNX internals InChI (mnx) InChI=1/C36H52FN5O6/c1-24-21-42(25(2)23-43)34(44)31-20-30(39-35(45)38-28-11-6-5-7-12-28)17-18-32(31)48-26(3)10-8-9-19-47-33(24)22-41(4)36(46)40-29-15-13-27(37)14-16-29/h13-18,20,24-26,28,33,43H,5-12,19,21-23H2,1-4H3,(H,40,46)(H2,38,39,45)/t24-,25-,26-,33+/m1/s1 SMILES (mnx) [CH3:1][C@@H:24]1[CH2:21][N:42]([C@H:25]([CH3:2])[CH2:23][OH:43])[C:34](=[O:44])[C:31]2=[CH:20][C:30]([NH:39][C:35](=[N:38][CH:28]3[CH2:11][CH2:6][CH2:5][CH2:7][CH2:12]3)[OH:45])=[CH:17][CH:18]=[C:32]2[O:48][C@H:26]([CH3:3])[CH2:10][CH2:8][CH2:9][CH2:19][O:47][C@H:33]1[CH2:22][N:41]([CH3:4])[C:36]([NH:40][C:29]1=[CH:16][CH:14]=[C:27]([F:37])[CH:13]=[CH:15]1)=[O:46]

Parent-child relations graph

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