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

Properties Image MNX_ID MNXM172154 reference chebi:104627 formula C30H46N4O4 global charge 0 mol weight 526.722 InChIKey ZQLCRBSTGDSWQO-RWJVBYDYSA-N InChI InChI=1S/C30H46N4O4/c1-22-18-34(23(2)21-35)30(36)27-17-26(32(4)5)10-11-28(27)38-24(3)9-7-8-16-37-29(22)20-33(6)19-25-12-14-31-15-13-25/h10-15,17,22-24,29,35H,7-9,16,18-21H2,1-6H3/t22-,23-,24-,29-/m1/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(N(C)C)=C2)O1 MNX internals InChI (mnx) InChI=1/C30H46N4O4/c1-22-18-34(23(2)21-35)30(36)27-17-26(32(4)5)10-11-28(27)38-24(3)9-7-8-16-37-29(22)20-33(6)19-25-12-14-31-15-13-25/h10-15,17,22-24,29,35H,7-9,16,18-21H2,1-6H3/t22-,23-,24-,29-/m1/s1 SMILES (mnx) [CH3:1][C@@H:22]1[CH2:18][N:34]([C@H:23]([CH3:2])[CH2:21][OH:35])[C:30](=[O:36])[C:27]2=[CH:17][C:26]([N:32]([CH3:4])[CH3:5])=[CH:10][CH:11]=[C:28]2[O:38][C@H:24]([CH3:3])[CH2:9][CH2:7][CH2:8][CH2:16][O:37][C@@H:29]1[CH2:20][N:33]([CH3:6])[CH2:19][C:25]1=[CH:13][CH:15]=[N:31][CH:14]=[CH:12]1

Parent-child relations graph

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