1-[(5S,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-chlorophenyl)urea

Properties Image MNX_ID MNXM340611 reference chebi:111879 formula C26H33ClN4O5 global charge 0 mol weight 517.026 InChIKey VXDVHPQBGXHDCU-HOZJOUCCSA-N InChI InChI=1S/C26H33ClN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-19(28-26(34)29-22-9-7-6-8-21(22)27)10-11-20(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17-,24-/m1/s1 SMILES CO[C@@H]1CN(C)C(=O)C2=C(C=C(NC(=O)NC3=CC=CC=C3Cl)C=C2)OC[C@@H](C)N(C(C)=O)C[C@H]1C MNX internals InChI (mnx) InChI=1/C26H33ClN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-19(28-26(34)29-22-9-7-6-8-21(22)27)10-11-20(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17-,24-/m1/s1 SMILES (mnx) [CH3:1][C@@H:16]1[CH2:13][N:31]([C:18]([CH3:3])=[O:32])[C@H:17]([CH3:2])[CH2:15][O:36][C:23]2=[C:20]([CH:11]=[CH:10][C:19]([N:28]=[C:26]([NH:29][C:22]3=[CH:9][CH:7]=[CH:6][CH:8]=[C:21]3[Cl:27])[OH:34])=[CH:12]2)[C:25](=[O:33])[N:30]([CH3:4])[CH2:14][C@H:24]1[O:35][CH3:5]

Parent-child relations graph

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