1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM340013 reference chebi:117879 formula C34H46N4O5 global charge 0 mol weight 590.765 InChIKey HBVPERRGRWZCML-PWRUDQNKSA-N InChI InChI=1S/C34H46N4O5/c1-23-20-38(24(2)22-39)33(40)29-19-27(35-34(41)36-30-15-10-13-26-12-6-7-14-28(26)30)16-17-31(29)43-25(3)11-8-9-18-42-32(23)21-37(4)5/h6-7,10,12-17,19,23-25,32,39H,8-9,11,18,20-22H2,1-5H3,(H2,35,36,41)/t23-,24+,25-,32-/m1/s1 SMILES C[C@@H]1CCCCO[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC4=CC=CC=C43)=C2)O1 MNX internals InChI (mnx) InChI=1/C34H46N4O5/c1-23-20-38(24(2)22-39)33(40)29-19-27(35-34(41)36-30-15-10-13-26-12-6-7-14-28(26)30)16-17-31(29)43-25(3)11-8-9-18-42-32(23)21-37(4)5/h6-7,10,12-17,19,23-25,32,39H,8-9,11,18,20-22H2,1-5H3,(H2,35,36,41)/t23-,24+,25-,32-/m1/s1 SMILES (mnx) [CH3:1][C@@H:23]1[CH2:20][N:38]([C@@H:24]([CH3:2])[CH2:22][OH:39])[C:33](=[O:40])[C:29]2=[CH:19][C:27]([N:35]=[C:34]([NH:36][C:30]3=[CH:15][CH:10]=[CH:13][C:26]4=[CH:12][CH:6]=[CH:7][CH:14]=[C:28]43)[OH:41])=[CH:16][CH:17]=[C:31]2[O:43][C@H:25]([CH3:3])[CH2:11][CH2:8][CH2:9][CH2:18][O:42][C@@H:32]1[CH2:21][N:37]([CH3:4])[CH3:5]

Parent-child relations graph

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