1-[[(8R,9S)-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-propan-2-ylurea

Properties Image MNX_ID MNXM341936 reference chebi:95975 formula C20H36N6O4 global charge 0 mol weight 424.546 InChIKey UNRRBHFUILMFRI-JFIYKMOQSA-N InChI InChI=1S/C20H36N6O4/c1-14(2)21-20(29)24(5)11-18-15(3)9-26(16(4)12-27)19(28)7-6-8-25-10-17(13-30-18)22-23-25/h10,14-16,18,27H,6-9,11-13H2,1-5H3,(H,21,29)/t15-,16-,18-/m1/s1 SMILES CC(C)NC(=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/C20H36N6O4/c1-14(2)21-20(29)24(5)11-18-15(3)9-26(16(4)12-27)19(28)7-6-8-25-10-17(13-30-18)22-23-25/h10,14-16,18,27H,6-9,11-13H2,1-5H3,(H,21,29)/t15-,16-,18-/m1/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[N:21]=[C:20]([N:24]([CH3:5])[CH2:11][C@@H:18]1[C@H:15]([CH3:3])[CH2:9][N:26]([C@H:16]([CH3:4])[CH2:12][OH:27])[C:19](=[O:28])[CH2:7][CH2:6][CH2:8][N:25]2[CH:10]=[C:17]([CH2:13][O:30]1)[N:22]=[N:23]2)[OH:29]

Parent-child relations graph

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