1-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea

Properties Image MNX_ID MNXM339702 reference chebi:100397 formula C23H31ClFN3O5S global charge 0 mol weight 516.035 InChIKey PIYRLUCWZXVSBU-GSHUGGBRSA-N InChI InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m0/s1 SMILES CO[C@H](CN(C)S(=O)(=O)C1=CC=C(Cl)C=C1)[C@@H](C)CN(C(=O)NC1=CC=CC=C1F)[C@H](C)CO MNX internals InChI (mnx) InChI=1/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m0/s1 SMILES (mnx) [CH3:1][C@@H:16]([CH2:13][N:28]([C@H:17]([CH3:2])[CH2:15][OH:29])[C:23](=[N:26][C:21]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:20]1[F:25])[OH:30])[C@@H:22]([CH2:14][N:27]([CH3:3])[S:34]([C:19]1=[CH:12][CH:10]=[C:18]([Cl:24])[CH:9]=[CH:11]1)(=[O:31])=[O:32])[O:33][CH3:4]

Parent-child relations graph

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