1-[[(3R,9S,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-propan-2-ylurea

Properties Image MNX_ID MNXM341652 reference chebi:126671 formula C33H48FN5O6 global charge 0 mol weight 629.774 InChIKey DHTRKFATNYGVIW-QXFFIUSXSA-N InChI InChI=1S/C33H48FN5O6/c1-21(2)35-33(43)38(6)19-30-22(3)18-39(23(4)20-40)31(41)28-17-27(37-32(42)36-26-12-10-25(34)11-13-26)14-15-29(28)45-24(5)9-7-8-16-44-30/h10-15,17,21-24,30,40H,7-9,16,18-20H2,1-6H3,(H,35,43)(H2,36,37,42)/t22-,23+,24+,30+/m0/s1 SMILES CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)OC2=C(C=C(NC(=O)NC3=CC=C(F)C=C3)C=C2)C(=O)N([C@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C33H48FN5O6/c1-21(2)35-33(43)38(6)19-30-22(3)18-39(23(4)20-40)31(41)28-17-27(37-32(42)36-26-12-10-25(34)11-13-26)14-15-29(28)45-24(5)9-7-8-16-44-30/h10-15,17,21-24,30,40H,7-9,16,18-20H2,1-6H3,(H,35,43)(H2,36,37,42)/t22-,23+,24+,30+/m0/s1 SMILES (mnx) [CH3:1][CH:21]([CH3:2])[N:35]=[C:33]([N:38]([CH3:6])[CH2:19][C@@H:30]1[C@@H:22]([CH3:3])[CH2:18][N:39]([C@H:23]([CH3:4])[CH2:20][OH:40])[C:31](=[O:41])[C:28]2=[CH:17][C:27]([N:37]=[C:32]([NH:36][C:26]3=[CH:13][CH:11]=[C:25]([F:34])[CH:10]=[CH:12]3)[OH:42])=[CH:14][CH:15]=[C:29]2[O:45][C@H:24]([CH3:5])[CH2:9][CH2:7][CH2:8][CH2:16][O:44]1)[OH:43]

Parent-child relations graph

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