1-[(4S,7R,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea

Properties Image MNX_ID MNXM340452 reference chebi:104415 formula C28H35FN4O5 global charge 0 mol weight 526.609 InChIKey UCDDDGMWGBQWAH-FUMQJTLXSA-N InChI InChI=1S/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18+,25-/m1/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=CC(NC(=O)NC3=CC(F)=CC=C3)=C2)OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C MNX internals InChI (mnx) InChI=1/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18+,25-/m1/s1 SMILES (mnx) [CH3:1][C@@H:17]1[CH2:14][N:33]([C:26]([CH:19]2[CH2:8][CH2:9]2)=[O:34])[C@@H:18]([CH3:2])[CH2:16][O:38][C:24]2=[C:23]([CH:13]=[C:22]([NH:31][C:28](=[N:30][C:21]3=[CH:7][CH:5]=[CH:6][C:20]([F:29])=[CH:12]3)[OH:36])[CH:10]=[CH:11]2)[C:27](=[O:35])[N:32]([CH3:3])[CH2:15][C@H:25]1[O:37][CH3:4]

Parent-child relations graph

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