1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

Properties Image MNX_ID MNXM179414 reference chebi:123815 formula C30H35N5O6 global charge 0 mol weight 561.639 InChIKey NCLMVBXMEZWKRK-SEXOINJZSA-N InChI InChI=1S/C30H35N5O6/c1-19-14-35(20(2)17-36)29(37)23-5-4-6-24(33-30(38)32-22-7-8-25-26(13-22)40-18-39-25)28(23)41-27(19)16-34(3)15-21-9-11-31-12-10-21/h4-13,19-20,27,36H,14-18H2,1-3H3,(H2,32,33,38)/t19-,20-,27-/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(O[C@@H]1CN(C)CC1=CC=NC=C1)C(NC(=O)NC1=CC3=C(C=C1)OCO3)=CC=C2 MNX internals InChI (mnx) InChI=1/C30H35N5O6/c1-19-14-35(20(2)17-36)29(37)23-5-4-6-24(33-30(38)32-22-7-8-25-26(13-22)40-18-39-25)28(23)41-27(19)16-34(3)15-21-9-11-31-12-10-21/h4-13,19-20,27,36H,14-18H2,1-3H3,(H2,32,33,38)/t19-,20-,27-/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:14][N:35]([C@H:20]([CH3:2])[CH2:17][OH:36])[C:29](=[O:37])[C:23]2=[C:28]([C:24]([NH:33][C:30](=[N:32][C:22]3=[CH:13][C:26]4=[C:25]([CH:8]=[CH:7]3)[O:39][CH2:18][O:40]4)[OH:38])=[CH:6][CH:4]=[CH:5]2)[O:41][C@@H:27]1[CH2:16][N:34]([CH3:3])[CH2:15][C:21]1=[CH:10][CH:12]=[N:31][CH:11]=[CH:9]1

Parent-child relations graph

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