1-[(4R,7R,8R)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM340309 reference chebi:112075 formula C25H41N5O5 global charge 0 mol weight 491.633 InChIKey AWYPCRXSVTZAPT-HMFYCAOWSA-N InChI InChI=1S/C25H41N5O5/c1-16(2)26-25(33)27-19-9-10-21-20(11-19)24(32)29(7)13-22(34-8)17(3)12-30(18(4)15-35-21)23(31)14-28(5)6/h9-11,16-18,22H,12-15H2,1-8H3,(H2,26,27,33)/t17-,18-,22+/m1/s1 SMILES CO[C@H]1CN(C)C(=O)C2=C(C=CC(NC(=O)NC(C)C)=C2)OC[C@@H](C)N(C(=O)CN(C)C)C[C@H]1C MNX internals InChI (mnx) InChI=1/C25H41N5O5/c1-16(2)26-25(33)27-19-9-10-21-20(11-19)24(32)29(7)13-22(34-8)17(3)12-30(18(4)15-35-21)23(31)14-28(5)6/h9-11,16-18,22H,12-15H2,1-8H3,(H2,26,27,33)/t17-,18-,22+/m1/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[N:26]=[C:25]([NH:27][C:19]1=[CH:11][C:20]2=[C:21]([CH:10]=[CH:9]1)[O:35][CH2:15][C@@H:18]([CH3:4])[N:30]([C:23]([CH2:14][N:28]([CH3:5])[CH3:6])=[O:31])[CH2:12][C@@H:17]([CH3:3])[C@@H:22]([O:34][CH3:8])[CH2:13][N:29]([CH3:7])[C:24]2=[O:32])[OH:33]

Parent-child relations graph

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