1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

Properties Image MNX_ID MNXM340047 reference chebi:103465 formula C35H47N5O5 global charge 0 mol weight 617.791 InChIKey LMYACBAJSFEPOG-SQQWPVGBSA-N InChI InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33+/m0/s1 SMILES C[C@@H]1CCCCO[C@H](CN(C)CC2=CC=NC=C2)[C@@H](C)CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)O1 MNX internals InChI (mnx) InChI=1/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33+/m0/s1 SMILES (mnx) [CH3:1][C@H:25]1[CH2:21][N:40]([C@@H:26]([CH3:2])[CH2:24][OH:41])[C:34](=[O:42])[C:31]2=[CH:20][C:30]([NH:38][C:35](=[N:37][C:29]3=[CH:11][CH:6]=[CH:5][CH:7]=[CH:12]3)[OH:43])=[CH:13][CH:14]=[C:32]2[O:45][C@H:27]([CH3:3])[CH2:10][CH2:8][CH2:9][CH2:19][O:44][C@@H:33]1[CH2:23][N:39]([CH3:4])[CH2:22][C:28]1=[CH:16][CH:18]=[N:36][CH:17]=[CH:15]1

Parent-child relations graph

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