1-[(5R,6R,9S)-8-(cyclopropylmethyl)-5-methoxy-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 MNXM340572 reference chebi:115268 formula C28H38N4O4 global charge 0 mol weight 494.636 InChIKey LRUQUVHRPDASPT-GOHWNWGWSA-N InChI InChI=1S/C28H38N4O4/c1-19-15-32(16-21-10-11-21)20(2)18-36-25-14-23(30-28(34)29-22-8-6-5-7-9-22)12-13-24(25)27(33)31(3)17-26(19)35-4/h5-9,12-14,19-21,26H,10-11,15-18H2,1-4H3,(H2,29,30,34)/t19-,20+,26+/m1/s1 SMILES CO[C@H]1CN(C)C(=O)C2=C(C=C(NC(=O)NC3=CC=CC=C3)C=C2)OC[C@H](C)N(CC2CC2)C[C@H]1C MNX internals InChI (mnx) InChI=1/C28H38N4O4/c1-19-15-32(16-21-10-11-21)20(2)18-36-25-14-23(30-28(34)29-22-8-6-5-7-9-22)12-13-24(25)27(33)31(3)17-26(19)35-4/h5-9,12-14,19-21,26H,10-11,15-18H2,1-4H3,(H2,29,30,34)/t19-,20+,26+/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:15][N:32]([CH2:16][CH:21]2[CH2:10][CH2:11]2)[C@@H:20]([CH3:2])[CH2:18][O:36][C:25]2=[C:24]([CH:13]=[CH:12][C:23]([NH:30][C:28](=[N:29][C:22]3=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]3)[OH:34])=[CH:14]2)[C:27](=[O:33])[N:31]([CH3:3])[CH2:17][C@@H:26]1[O:35][CH3:4]

Parent-child relations graph

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