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

Properties Image MNX_ID MNXM341451 reference chebi:111681 formula C26H35ClN4O6S global charge 0 mol weight 567.108 InChIKey ROXPMFGZZQEKHB-YZZKKUAISA-N InChI InChI=1S/C26H35ClN4O6S/c1-16(2)28-26(34)30(5)14-23-17(3)13-31(18(4)15-32)25(33)21-7-6-8-22(24(21)37-23)29-38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,29,32H,13-15H2,1-5H3,(H,28,34)/t17-,18+,23+/m0/s1 SMILES CC(C)NC(=O)N(C)C[C@H]1OC2=C(C=CC=C2NS(=O)(=O)C2=CC=C(Cl)C=C2)C(=O)N([C@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C26H35ClN4O6S/c1-16(2)28-26(34)30(5)14-23-17(3)13-31(18(4)15-32)25(33)21-7-6-8-22(24(21)37-23)29-38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,29,32H,13-15H2,1-5H3,(H,28,34)/t17-,18+,23+/m0/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[N:28]=[C:26]([N:30]([CH3:5])[CH2:14][C@@H:23]1[C@@H:17]([CH3:3])[CH2:13][N:31]([C@H:18]([CH3:4])[CH2:15][OH:32])[C:25](=[O:33])[C:21]2=[C:24]([C:22]([NH:29][S:38]([C:20]3=[CH:12][CH:10]=[C:19]([Cl:27])[CH:9]=[CH:11]3)(=[O:35])=[O:36])=[CH:8][CH:6]=[CH:7]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