1-cyclohexyl-3-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]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]urea

Properties Image MNX_ID MNXM344649 reference chebi:127700 formula C33H54N4O5 global charge 0 mol weight 586.818 InChIKey OYTWRKZESVKYOW-XDAUYTPDSA-N InChI InChI=1S/C33H54N4O5/c1-23-19-37(24(2)22-38)32(39)29-18-28(35-33(40)34-27-11-6-5-7-12-27)15-16-30(29)42-25(3)10-8-9-17-41-31(23)21-36(4)20-26-13-14-26/h15-16,18,23-27,31,38H,5-14,17,19-22H2,1-4H3,(H2,34,35,40)/t23-,24+,25-,31-/m1/s1 SMILES C[C@@H]1CCCCO[C@H](CN(C)CC2CC2)[C@H](C)CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3CCCCC3)=C2)O1 MNX internals InChI (mnx) InChI=1/C33H54N4O5/c1-23-19-37(24(2)22-38)32(39)29-18-28(35-33(40)34-27-11-6-5-7-12-27)15-16-30(29)42-25(3)10-8-9-17-41-31(23)21-36(4)20-26-13-14-26/h15-16,18,23-27,31,38H,5-14,17,19-22H2,1-4H3,(H2,34,35,40)/t23-,24+,25-,31-/m1/s1 SMILES (mnx) [CH3:1][C@@H:23]1[CH2:19][N:37]([C@@H:24]([CH3:2])[CH2:22][OH:38])[C:32](=[O:39])[C:29]2=[CH:18][C:28]([NH:35][C:33](=[N:34][CH:27]3[CH2:11][CH2:6][CH2:5][CH2:7][CH2:12]3)[OH:40])=[CH:15][CH:16]=[C:30]2[O:42][C@H:25]([CH3:3])[CH2:10][CH2:8][CH2:9][CH2:17][O:41][C@@H:31]1[CH2:21][N:36]([CH3:4])[CH2:20][CH:26]1[CH2:13][CH2:14]1

Parent-child relations graph

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