1-[[(2S,3S)-9-(benzenesulfonamido)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Properties Image MNX_ID MNXM341531 reference chebi:108611 formula C27H38N4O6S global charge 0 mol weight 546.69 InChIKey LNIIROWVVFKABQ-ZYLNGJIFSA-N InChI InChI=1S/C27H38N4O6S/c1-18(2)28-27(34)30(5)16-25-19(3)15-31(20(4)17-32)26(33)14-21-13-22(11-12-24(21)37-25)29-38(35,36)23-9-7-6-8-10-23/h6-13,18-20,25,29,32H,14-17H2,1-5H3,(H,28,34)/t19-,20-,25+/m0/s1 SMILES CC(C)NC(=O)N(C)C[C@H]1OC2=C(C=C(NS(=O)(=O)C3=CC=CC=C3)C=C2)CC(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C27H38N4O6S/c1-18(2)28-27(34)30(5)16-25-19(3)15-31(20(4)17-32)26(33)14-21-13-22(11-12-24(21)37-25)29-38(35,36)23-9-7-6-8-10-23/h6-13,18-20,25,29,32H,14-17H2,1-5H3,(H,28,34)/t19-,20-,25+/m0/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[N:28]=[C:27]([N:30]([CH3:5])[CH2:16][C@@H:25]1[C@@H:19]([CH3:3])[CH2:15][N:31]([C@@H:20]([CH3:4])[CH2:17][OH:32])[C:26](=[O:33])[CH2:14][C:21]2=[C:24]([CH:12]=[CH:11][C:22]([NH:29][S:38]([C:23]3=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]3)(=[O:35])=[O:36])=[CH:13]2)[O:37]1)[OH:34]

Parent-child relations graph

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