1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-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-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM341658 reference chebi:104641 formula C35H48N4O5 global charge 0 mol weight 604.792 InChIKey UBYZDEGPUXBRQE-DWAIMSSFSA-N InChI InChI=1S/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25-,26+,33+/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(C=CC(N(C)C)=C2)O[C@@H](C)CCCCO[C@H]1CN(C)C(=O)NC1=CC=CC2=CC=CC=C21 MNX internals InChI (mnx) InChI=1/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25-,26+,33+/m1/s1 SMILES (mnx) [CH3:1][C@@H:24]1[CH2:21][N:39]([C@H:25]([CH3:2])[CH2:23][OH:40])[C:34](=[O:41])[C:30]2=[CH:20][C:28]([N:37]([CH3:4])[CH3:5])=[CH:17][CH:18]=[C:32]2[O:44][C@@H:26]([CH3:3])[CH2:12][CH2:9][CH2:10][CH2:19][O:43][C@H:33]1[CH2:22][N:38]([CH3:6])[C:35](=[N:36][C:31]1=[CH:16][CH:11]=[CH:14][C:27]2=[CH:13][CH:7]=[CH:8][CH:15]=[C:29]21)[OH:42]

Parent-child relations graph

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