1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-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]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM341690 reference chebi:128296 formula C37H45F4N5O6 global charge 0 mol weight 731.788 InChIKey YOPXVAOAMXXDLX-QXXCKKGJSA-N InChI InChI=1S/C37H45F4N5O6/c1-23-20-46(24(2)22-47)34(48)31-19-30(43-35(49)42-28-14-10-27(38)11-15-28)16-17-32(31)52-25(3)7-5-6-18-51-33(23)21-45(4)36(50)44-29-12-8-26(9-13-29)37(39,40)41/h8-17,19,23-25,33,47H,5-7,18,20-22H2,1-4H3,(H,44,50)(H2,42,43,49)/t23-,24+,25-,33-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2=CC=C(C(F)(F)F)C=C2)OCCCC[C@H](C)OC2=C(C=C(NC(=O)NC3=CC=C(F)C=C3)C=C2)C1=O MNX internals InChI (mnx) InChI=1/C37H45F4N5O6/c1-23-20-46(24(2)22-47)34(48)31-19-30(43-35(49)42-28-14-10-27(38)11-15-28)16-17-32(31)52-25(3)7-5-6-18-51-33(23)21-45(4)36(50)44-29-12-8-26(9-13-29)37(39,40)41/h8-17,19,23-25,33,47H,5-7,18,20-22H2,1-4H3,(H,44,50)(H2,42,43,49)/t23-,24+,25-,33-/m0/s1 SMILES (mnx) [CH3:1][C@H:23]1[CH2:20][N:46]([C@H:24]([CH3:2])[CH2:22][OH:47])[C:34](=[O:48])[C:31]2=[CH:19][C:30]([N:43]=[C:35]([NH:42][C:28]3=[CH:15][CH:11]=[C:27]([F:38])[CH:10]=[CH:14]3)[OH:49])=[CH:16][CH:17]=[C:32]2[O:52][C@@H:25]([CH3:3])[CH2:7][CH2:5][CH2:6][CH2:18][O:51][C@H:33]1[CH2:21][N:45]([CH3:4])[C:36]([NH:44][C:29]1=[CH:13][CH:9]=[C:26]([C:37]([F:39])([F:40])[F:41])[CH:8]=[CH:12]1)=[O:50]

Parent-child relations graph

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