1-[[(8S,9S)-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-[3-(2-pyridinyloxy)phenyl]urea

Properties Image MNX_ID MNXM342033 reference chebi:112561 formula C28H37N7O5 global charge 0 mol weight 551.648 InChIKey GHLJLHKVBJDFKH-STWLZBDKSA-N InChI InChI=1S/C28H37N7O5/c1-20-16-34(21(2)18-36)27(37)11-7-13-35-23(15-30-32-35)19-39-25(20)17-33(3)28(38)31-22-8-6-9-24(14-22)40-26-10-4-5-12-29-26/h4-6,8-10,12,14-15,20-21,25,36H,7,11,13,16-19H2,1-3H3,(H,31,38)/t20-,21-,25+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)CCCN2N=NC=C2CO[C@@H]1CN(C)C(=O)NC1=CC(OC2=CC=CC=N2)=CC=C1 MNX internals InChI (mnx) InChI=1/C28H37N7O5/c1-20-16-34(21(2)18-36)27(37)11-7-13-35-23(15-30-32-35)19-39-25(20)17-33(3)28(38)31-22-8-6-9-24(14-22)40-26-10-4-5-12-29-26/h4-6,8-10,12,14-15,20-21,25,36H,7,11,13,16-19H2,1-3H3,(H,31,38)/t20-,21-,25+/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:16][N:34]([C@@H:21]([CH3:2])[CH2:18][OH:36])[C:27](=[O:37])[CH2:11][CH2:7][CH2:13][N:35]2[C:23](=[CH:15][N:30]=[N:32]2)[CH2:19][O:39][C@@H:25]1[CH2:17][N:33]([CH3:3])[C:28](=[N:31][C:22]1=[CH:14][C:24]([O:40][C:26]2=[CH:10][CH:4]=[CH:5][CH:12]=[N:29]2)=[CH:9][CH:6]=[CH:8]1)[OH:38]

Parent-child relations graph

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