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

Properties Image MNX_ID MNXM341409 reference chebi:124806 formula C24H35N5O5 global charge 0 mol weight 473.574 InChIKey ABTIQNBQOPCZIO-LRAJWGHMSA-N InChI InChI=1S/C24H35N5O5/c1-14-11-29(15(2)13-30)23(31)19-10-18(27(5)6)8-9-20(19)33-21(14)12-28(7)24(32)25-22-16(3)26-34-17(22)4/h8-10,14-15,21,30H,11-13H2,1-7H3,(H,25,32)/t14-,15+,21-/m1/s1 SMILES CC1=NOC(C)=C1NC(=O)N(C)C[C@H]1OC2=C(C=C(N(C)C)C=C2)C(=O)N([C@@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C24H35N5O5/c1-14-11-29(15(2)13-30)23(31)19-10-18(27(5)6)8-9-20(19)33-21(14)12-28(7)24(32)25-22-16(3)26-34-17(22)4/h8-10,14-15,21,30H,11-13H2,1-7H3,(H,25,32)/t14-,15+,21-/m1/s1 SMILES (mnx) [CH3:1][C@@H:14]1[CH2:11][N:29]([C@@H:15]([CH3:2])[CH2:13][OH:30])[C:23](=[O:31])[C:19]2=[C:20]([CH:9]=[CH:8][C:18]([N:27]([CH3:5])[CH3:6])=[CH:10]2)[O:33][C@@H:21]1[CH2:12][N:28]([CH3:7])[C:24](=[N:25][C:22]1=[C:17]([CH3:4])[O:34][N:26]=[C:16]1[CH3:3])[OH:32]

Parent-child relations graph

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