1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[3-(2-pyridinyloxy)phenyl]urea

Properties Image MNX_ID MNXM341967 reference chebi:95556 formula C28H37N7O5 global charge 0 mol weight 551.648 InChIKey WYPGSQIBOYUSAK-BKSPAHHJSA-N InChI InChI=1S/C28H37N7O5/c1-20-15-35(21(2)18-36)27(37)11-7-13-34-16-23(31-32-34)19-39-25(20)17-33(3)28(38)30-22-8-6-9-24(14-22)40-26-10-4-5-12-29-26/h4-6,8-10,12,14,16,20-21,25,36H,7,11,13,15,17-19H2,1-3H3,(H,30,38)/t20-,21+,25-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2=CC(OC3=CC=CC=N3)=CC=C2)OCC2=CN(CCCC1=O)N=N2 MNX internals InChI (mnx) InChI=1/C28H37N7O5/c1-20-15-35(21(2)18-36)27(37)11-7-13-34-16-23(31-32-34)19-39-25(20)17-33(3)28(38)30-22-8-6-9-24(14-22)40-26-10-4-5-12-29-26/h4-6,8-10,12,14,16,20-21,25,36H,7,11,13,15,17-19H2,1-3H3,(H,30,38)/t20-,21+,25-/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:15][N:35]([C@H:21]([CH3:2])[CH2:18][OH:36])[C:27](=[O:37])[CH2:11][CH2:7][CH2:13][N:34]2[CH:16]=[C:23]([CH2:19][O:39][C@H:25]1[CH2:17][N:33]([CH3:3])[C:28](=[N:30][C:22]1=[CH:14][C:24]([O:40][C:26]3=[CH:10][CH:4]=[CH:5][CH:12]=[N:29]3)=[CH:9][CH:6]=[CH:8]1)[OH:38])[N:31]=[N:32]2

Parent-child relations graph

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