1-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[2-(4-morpholinyl)-4-pyridinyl]urea

Properties Image MNX_ID MNXM341920 reference chebi:95851 formula C26H40N8O5 global charge 0 mol weight 544.657 InChIKey RIHXBZGHHXCGPP-QTEQDKRBSA-N InChI InChI=1S/C26H40N8O5/c1-19-15-33(20(2)17-35)25(36)5-4-8-34-22(14-28-30-34)18-39-23(19)16-31(3)26(37)29-21-6-7-27-24(13-21)32-9-11-38-12-10-32/h6-7,13-14,19-20,23,35H,4-5,8-12,15-18H2,1-3H3,(H,27,29,37)/t19-,20+,23+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)CCCN2N=NC=C2CO[C@H]1CN(C)C(=O)NC1=CC(N2CCOCC2)=NC=C1 MNX internals InChI (mnx) InChI=1/C26H40N8O5/c1-19-15-33(20(2)17-35)25(36)5-4-8-34-22(14-28-30-34)18-39-23(19)16-31(3)26(37)29-21-6-7-27-24(13-21)32-9-11-38-12-10-32/h6-7,13-14,19-20,23,35H,4-5,8-12,15-18H2,1-3H3,(H,27,29,37)/t19-,20+,23+/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:15][N:33]([C@@H:20]([CH3:2])[CH2:17][OH:35])[C:25](=[O:36])[CH2:5][CH2:4][CH2:8][N:34]2[C:22](=[CH:14][N:28]=[N:30]2)[CH2:18][O:39][C@H:23]1[CH2:16][N:31]([CH3:3])[C:26](=[N:29][C:21]1=[CH:13][C:24]([N:32]2[CH2:9][CH2:11][O:38][CH2:12][CH2:10]2)=[N:27][CH:7]=[CH:6]1)[OH:37]

Parent-child relations graph

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