1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea

Properties Image MNX_ID MNXM341384 reference chebi:124845 formula C31H38N4O6S global charge 0 mol weight 594.734 InChIKey FOMJAWNNVOQBNI-RLPNJSHFSA-N InChI InChI=1S/C31H38N4O6S/c1-21-10-13-27(14-11-21)42(39,40)33-26-12-15-28-24(16-26)17-30(37)35(23(3)20-36)18-22(2)29(41-28)19-34(4)31(38)32-25-8-6-5-7-9-25/h5-16,22-23,29,33,36H,17-20H2,1-4H3,(H,32,38)/t22-,23+,29-/m1/s1 SMILES CC1=CC=C(S(=O)(=O)NC2=CC3=C(C=C2)O[C@H](CN(C)C(=O)NC2=CC=CC=C2)[C@H](C)CN([C@@H](C)CO)C(=O)C3)C=C1 MNX internals InChI (mnx) InChI=1/C31H38N4O6S/c1-21-10-13-27(14-11-21)42(39,40)33-26-12-15-28-24(16-26)17-30(37)35(23(3)20-36)18-22(2)29(41-28)19-34(4)31(38)32-25-8-6-5-7-9-25/h5-16,22-23,29,33,36H,17-20H2,1-4H3,(H,32,38)/t22-,23+,29-/m1/s1 SMILES (mnx) [CH3:1][C:21]1=[CH:11][CH:14]=[C:27]([S:42]([NH:33][C:26]2=[CH:16][C:24]3=[C:28]([CH:15]=[CH:12]2)[O:41][C@H:29]([CH2:19][N:34]([CH3:4])[C:31](=[N:32][C:25]2=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]2)[OH:38])[C@H:22]([CH3:2])[CH2:18][N:35]([C@@H:23]([CH3:3])[CH2:20][OH:36])[C:30](=[O:37])[CH2:17]3)(=[O:39])=[O:40])[CH:13]=[CH:10]1

Parent-child relations graph

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