1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-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-9-yl]methyl]-3-cyclohexyl-1-methylurea

Properties Image MNX_ID MNXM341698 reference chebi:127644 formula C36H53N5O6 global charge 0 mol weight 651.849 InChIKey DPEMORWFTDHHQZ-KIAQLKRMSA-N InChI InChI=1S/C36H53N5O6/c1-25-22-41(26(2)24-42)34(43)31-21-30(38-35(44)37-28-14-7-5-8-15-28)18-19-32(31)47-27(3)13-11-12-20-46-33(25)23-40(4)36(45)39-29-16-9-6-10-17-29/h5,7-8,14-15,18-19,21,25-27,29,33,42H,6,9-13,16-17,20,22-24H2,1-4H3,(H,39,45)(H2,37,38,44)/t25-,26-,27-,33-/m0/s1 SMILES C[C@H]1CCCCO[C@@H](CN(C)C(=O)NC2CCCCC2)[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/C36H53N5O6/c1-25-22-41(26(2)24-42)34(43)31-21-30(38-35(44)37-28-14-7-5-8-15-28)18-19-32(31)47-27(3)13-11-12-20-46-33(25)23-40(4)36(45)39-29-16-9-6-10-17-29/h5,7-8,14-15,18-19,21,25-27,29,33,42H,6,9-13,16-17,20,22-24H2,1-4H3,(H,39,45)(H2,37,38,44)/t25-,26-,27-,33-/m0/s1 SMILES (mnx) [CH3:1][C@H:25]1[CH2:22][N:41]([C@@H:26]([CH3:2])[CH2:24][OH:42])[C:34](=[O:43])[C:31]2=[CH:21][C:30]([NH:38][C:35](=[N:37][C:28]3=[CH:14][CH:7]=[CH:5][CH:8]=[CH:15]3)[OH:44])=[CH:18][CH:19]=[C:32]2[O:47][C@@H:27]([CH3:3])[CH2:13][CH2:11][CH2:12][CH2:20][O:46][C@H:33]1[CH2:23][N:40]([CH3:4])[C:36](=[N:39][CH:29]1[CH2:16][CH2:9][CH2:6][CH2:10][CH2:17]1)[OH:45]

Parent-child relations graph

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