1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

Properties Image MNX_ID MNXM340147 reference chebi:123801 formula C29H42N4O5 global charge 0 mol weight 526.678 InChIKey HNFJEPMYRFFBAZ-LFYAFONDSA-N InChI InChI=1S/C29H42N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,34H,8-10,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21-,22-,27-/m0/s1 SMILES CNC[C@@H]1OCCCC[C@H](C)OC2=C(C=C(NC(=O)NC3=CC=CC=C3)C=C2)C(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C29H42N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,34H,8-10,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21-,22-,27-/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:18][N:33]([C@@H:21]([CH3:2])[CH2:19][OH:34])[C:28](=[O:35])[C:25]2=[CH:16][C:24]([NH:32][C:29](=[N:31][C:23]3=[CH:11][CH:6]=[CH:5][CH:7]=[CH:12]3)[OH:36])=[CH:13][CH:14]=[C:26]2[O:38][C@@H:22]([CH3:3])[CH2:10][CH2:8][CH2:9][CH2:15][O:37][C@H:27]1[CH2:17][NH:30][CH3:4]

Parent-child relations graph

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