1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM340539 reference chebi:111160 formula C27H39N5O4 global charge 0 mol weight 497.64 InChIKey YDXYYDXTJISMJT-FHAGJXEFSA-N InChI InChI=1S/C27H39N5O4/c1-18(2)29-27(34)30-21-10-11-23-24(13-21)36-17-20(4)32(15-22-9-7-8-12-28-22)14-19(3)25(35-6)16-31(5)26(23)33/h7-13,18-20,25H,14-17H2,1-6H3,(H2,29,30,34)/t19-,20-,25+/m1/s1 SMILES CO[C@H]1CN(C)C(=O)C2=C(C=C(NC(=O)NC(C)C)C=C2)OC[C@@H](C)N(CC2=CC=CC=N2)C[C@H]1C MNX internals InChI (mnx) InChI=1/C27H39N5O4/c1-18(2)29-27(34)30-21-10-11-23-24(13-21)36-17-20(4)32(15-22-9-7-8-12-28-22)14-19(3)25(35-6)16-31(5)26(23)33/h7-13,18-20,25H,14-17H2,1-6H3,(H2,29,30,34)/t19-,20-,25+/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[N:29]=[C:27]([NH:30][C:21]1=[CH:13][C:24]2=[C:23]([CH:11]=[CH:10]1)[C:26](=[O:33])[N:31]([CH3:5])[CH2:16][C@H:25]([O:35][CH3:6])[C@H:19]([CH3:3])[CH2:14][N:32]([CH2:15][C:22]1=[CH:9][CH:7]=[CH:8][CH:12]=[N:28]1)[C@H:20]([CH3:4])[CH2:17][O:36]2)[OH:34]

Parent-child relations graph

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