1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

Properties Image MNX_ID MNXM341254 reference chebi:124692 formula C30H36N4O6S global charge 0 mol weight 580.707 InChIKey IAQUYCHTUWTPPM-XXAUWVGASA-N InChI InChI=1S/C30H36N4O6S/c1-20-13-15-24(16-14-20)41(38,39)32-26-12-8-11-25-28(26)40-27(21(2)17-34(29(25)36)22(3)19-35)18-33(4)30(37)31-23-9-6-5-7-10-23/h5-16,21-22,27,32,35H,17-19H2,1-4H3,(H,31,37)/t21-,22+,27-/m0/s1 SMILES CC1=CC=C(S(=O)(=O)NC2=CC=CC3=C2O[C@@H](CN(C)C(=O)NC2=CC=CC=C2)[C@@H](C)CN([C@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C30H36N4O6S/c1-20-13-15-24(16-14-20)41(38,39)32-26-12-8-11-25-28(26)40-27(21(2)17-34(29(25)36)22(3)19-35)18-33(4)30(37)31-23-9-6-5-7-10-23/h5-16,21-22,27,32,35H,17-19H2,1-4H3,(H,31,37)/t21-,22+,27-/m0/s1 SMILES (mnx) [CH3:1][C:20]1=[CH:14][CH:16]=[C:24]([S:41]([NH:32][C:26]2=[CH:12][CH:8]=[CH:11][C:25]3=[C:28]2[O:40][C@@H:27]([CH2:18][N:33]([CH3:4])[C:30](=[N:31][C:23]2=[CH:9][CH:6]=[CH:5][CH:7]=[CH:10]2)[OH:37])[C@@H:21]([CH3:2])[CH2:17][N:34]([C@H:22]([CH3:3])[CH2:19][OH:35])[C:29]3=[O:36])(=[O:38])=[O:39])[CH:15]=[CH:13]1

Parent-child relations graph

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