1-[(5S,6S,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea

Properties Image MNX_ID MNXM340658 reference chebi:112121 formula C27H36N4O6 global charge 0 mol weight 512.607 InChIKey HLIQDYQETVADJC-AXHZCLLHSA-N InChI InChI=1S/C27H36N4O6/c1-18-14-31(25(32)17-35-4)19(2)16-37-23-13-21(29-27(34)28-20-9-7-6-8-10-20)11-12-22(23)26(33)30(3)15-24(18)36-5/h6-13,18-19,24H,14-17H2,1-5H3,(H2,28,29,34)/t18-,19-,24+/m0/s1 SMILES COCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)C2=C(C=C(NC(=O)NC3=CC=CC=C3)C=C2)OC[C@@H]1C MNX internals InChI (mnx) InChI=1/C27H36N4O6/c1-18-14-31(25(32)17-35-4)19(2)16-37-23-13-21(29-27(34)28-20-9-7-6-8-10-20)11-12-22(23)26(33)30(3)15-24(18)36-5/h6-13,18-19,24H,14-17H2,1-5H3,(H2,28,29,34)/t18-,19-,24+/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:14][N:31]([C:25]([CH2:17][O:35][CH3:4])=[O:32])[C@@H:19]([CH3:2])[CH2:16][O:37][C:23]2=[C:22]([CH:12]=[CH:11][C:21]([NH:29][C:27](=[N:28][C:20]3=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]3)[OH:34])=[CH:13]2)[C:26](=[O:33])[N:30]([CH3:3])[CH2:15][C@H:24]1[O:36][CH3:5]

Parent-child relations graph

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