1-[[(8S,9R)-6-[(2S)-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-[2-(4-morpholinyl)-4-pyridinyl]urea

Properties Image MNX_ID MNXM341983 reference chebi:131268 formula C26H40N8O5 global charge 0 mol weight 544.657 InChIKey PUSZFNDBKFADMS-JTAQYXEDSA-N InChI InChI=1S/C26H40N8O5/c1-19-14-34(20(2)17-35)25(36)5-4-8-33-15-22(29-30-33)18-39-23(19)16-31(3)26(37)28-21-6-7-27-24(13-21)32-9-11-38-12-10-32/h6-7,13,15,19-20,23,35H,4-5,8-12,14,16-18H2,1-3H3,(H,27,28,37)/t19-,20-,23-/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC1=CC(N3CCOCC3)=NC=C1)N=N2 MNX internals InChI (mnx) InChI=1/C26H40N8O5/c1-19-14-34(20(2)17-35)25(36)5-4-8-33-15-22(29-30-33)18-39-23(19)16-31(3)26(37)28-21-6-7-27-24(13-21)32-9-11-38-12-10-32/h6-7,13,15,19-20,23,35H,4-5,8-12,14,16-18H2,1-3H3,(H,27,28,37)/t19-,20-,23-/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:14][N:34]([C@@H:20]([CH3:2])[CH2:17][OH:35])[C:25](=[O:36])[CH2:5][CH2:4][CH2:8][N:33]2[CH:15]=[C:22]([CH2:18][O:39][C@H:23]1[CH2:16][N:31]([CH3:3])[C:26](=[N:28][C:21]1=[CH:13][C:24]([N:32]3[CH2:9][CH2:11][O:38][CH2:12][CH2:10]3)=[N:27][CH:7]=[CH:6]1)[OH:37])[N:29]=[N:30]2

Parent-child relations graph

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