1-[(3R,9S,10R)-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-propan-2-ylurea

Properties Image MNX_ID MNXM339997 reference chebi:103484 formula C26H44N4O5 global charge 0 mol weight 492.661 InChIKey DGSOXKKLHVIDDH-ZBNTXBBCSA-N InChI InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20-,24-/m1/s1 SMILES CNC[C@H]1OCCCC[C@@H](C)OC2=C(C=C(NC(=O)NC(C)C)C=C2)C(=O)N([C@@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20-,24-/m1/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[N:28]=[C:26]([NH:29][C:21]1=[CH:10][CH:11]=[C:23]2[C:22](=[CH:13]1)[C:25](=[O:32])[N:30]([C@@H:19]([CH3:4])[CH2:16][OH:31])[CH2:15][C@@H:18]([CH3:3])[C@@H:24]([CH2:14][NH:27][CH3:6])[O:34][CH2:12][CH2:8][CH2:7][CH2:9][C@@H:20]([CH3:5])[O:35]2)[OH:33]

Parent-child relations graph

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