1-[[(8R,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]-3-(2-methoxyphenyl)-1-methylurea

Properties Image MNX_ID MNXM341917 reference chebi:96896 formula C24H36N6O5 global charge 0 mol weight 488.589 InChIKey ZODITPIVHHGZAH-FGSXEWAUSA-N InChI InChI=1S/C24H36N6O5/c1-17-12-30(18(2)15-31)23(32)10-7-11-29-13-19(26-27-29)16-35-22(17)14-28(3)24(33)25-20-8-5-6-9-21(20)34-4/h5-6,8-9,13,17-18,22,31H,7,10-12,14-16H2,1-4H3,(H,25,33)/t17-,18+,22+/m1/s1 SMILES COC1=CC=CC=C1NC(=O)N(C)C[C@@H]1OCC2=CN(CCCC(=O)N([C@@H](C)CO)C[C@H]1C)N=N2 MNX internals InChI (mnx) InChI=1/C24H36N6O5/c1-17-12-30(18(2)15-31)23(32)10-7-11-29-13-19(26-27-29)16-35-22(17)14-28(3)24(33)25-20-8-5-6-9-21(20)34-4/h5-6,8-9,13,17-18,22,31H,7,10-12,14-16H2,1-4H3,(H,25,33)/t17-,18+,22+/m1/s1 SMILES (mnx) [CH3:1][C@@H:17]1[CH2:12][N:30]([C@@H:18]([CH3:2])[CH2:15][OH:31])[C:23](=[O:32])[CH2:10][CH2:7][CH2:11][N:29]2[CH:13]=[C:19]([CH2:16][O:35][C@H:22]1[CH2:14][N:28]([CH3:3])[C:24](=[N:25][C:20]1=[CH:8][CH:5]=[CH:6][CH:9]=[C:21]1[O:34][CH3:4])[OH:33])[N:26]=[N:27]2

Parent-child relations graph

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