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

Properties Image MNX_ID MNXM341738 reference chebi:103437 formula C28H48N4O5 global charge 0 mol weight 520.715 InChIKey KNZOATPLJIEOET-OYSWMMLKSA-N InChI InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22-,26+/m0/s1 SMILES CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)OC2=C(C=C(N(C)C)C=C2)C(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22-,26+/m0/s1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[N:29]=[C:28]([N:31]([CH3:8])[CH2:17][C@@H:26]1[C@@H:20]([CH3:3])[CH2:16][N:32]([C@@H:21]([CH3:4])[CH2:18][OH:33])[C:27](=[O:34])[C:24]2=[CH:15][C:23]([N:30]([CH3:6])[CH3:7])=[CH:12][CH:13]=[C:25]2[O:37][C@@H:22]([CH3:5])[CH2:11][CH2:9][CH2:10][CH2:14][O:36]1)[OH:35]

Parent-child relations graph

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