1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM339748 reference chebi:127434 formula C29H36N4O6S global charge 0 mol weight 568.696 InChIKey DDZZKLXHTCIGTN-OWOAZTCBSA-N InChI InChI=1S/C29H36N4O6S/c1-19-16-33(20(2)18-34)28(35)15-22-14-23(12-13-26(22)39-27(19)17-32(3)40(4,37)38)30-29(36)31-25-11-7-9-21-8-5-6-10-24(21)25/h5-14,19-20,27,34H,15-18H2,1-4H3,(H2,30,31,36)/t19-,20-,27+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(NC(=O)NC3=CC=CC4=CC=CC=C43)=C2)O[C@@H]1CN(C)S(C)(=O)=O MNX internals InChI (mnx) InChI=1/C29H36N4O6S/c1-19-16-33(20(2)18-34)28(35)15-22-14-23(12-13-26(22)39-27(19)17-32(3)40(4,37)38)30-29(36)31-25-11-7-9-21-8-5-6-10-24(21)25/h5-14,19-20,27,34H,15-18H2,1-4H3,(H2,30,31,36)/t19-,20-,27+/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:16][N:33]([C@@H:20]([CH3:2])[CH2:18][OH:34])[C:28](=[O:35])[CH2:15][C:22]2=[C:26]([CH:13]=[CH:12][C:23]([NH:30][C:29](=[N:31][C:25]3=[CH:11][CH:7]=[CH:9][C:21]4=[CH:8][CH:5]=[CH:6][CH:10]=[C:24]43)[OH:36])=[CH:14]2)[O:39][C@@H:27]1[CH2:17][N:32]([CH3:3])[S:40]([CH3:4])(=[O:37])=[O:38]

Parent-child relations graph

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