1-cyclohexyl-3-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

Properties Image MNX_ID MNXM344609 reference chebi:124311 formula C24H38N4O4 global charge 0 mol weight 446.592 InChIKey VXFJIZOVTNBNAE-GSHUGGBRSA-N InChI InChI=1S/C24H38N4O4/c1-16-13-28(17(2)15-29)23(30)20-12-19(10-11-21(20)32-22(16)14-27(3)4)26-24(31)25-18-8-6-5-7-9-18/h10-12,16-18,22,29H,5-9,13-15H2,1-4H3,(H2,25,26,31)/t16-,17+,22+/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)OC2=C(C=C(NC(=O)NC3CCCCC3)C=C2)C1=O MNX internals InChI (mnx) InChI=1/C24H38N4O4/c1-16-13-28(17(2)15-29)23(30)20-12-19(10-11-21(20)32-22(16)14-27(3)4)26-24(31)25-18-8-6-5-7-9-18/h10-12,16-18,22,29H,5-9,13-15H2,1-4H3,(H2,25,26,31)/t16-,17+,22+/m0/s1 SMILES (mnx) [CH3:1][C@H:16]1[CH2:13][N:28]([C@H:17]([CH3:2])[CH2:15][OH:29])[C:23](=[O:30])[C:20]2=[C:21]([CH:11]=[CH:10][C:19]([NH:26][C:24](=[N:25][CH:18]3[CH2:8][CH2:6][CH2:5][CH2:7][CH2:9]3)[OH:31])=[CH:12]2)[O:32][C@@H:22]1[CH2:14][N:27]([CH3:3])[CH3:4]

Parent-child relations graph

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