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

Properties Image MNX_ID MNXM339444 reference chebi:124634 formula C26H35FN4O6S global charge 0 mol weight 550.653 InChIKey YHAGKJIQSXBQKF-PMAPCBKXSA-N InChI InChI=1S/C26H35FN4O6S/c1-16(2)28-26(34)29-22-8-6-7-21-24(22)37-23(17(3)13-31(25(21)33)18(4)15-32)14-30(5)38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,32H,13-15H2,1-5H3,(H2,28,29,34)/t17-,18-,23-/m1/s1 SMILES CC(C)NC(=O)NC1=CC=CC2=C1O[C@H](CN(C)S(=O)(=O)C1=CC=C(F)C=C1)[C@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C26H35FN4O6S/c1-16(2)28-26(34)29-22-8-6-7-21-24(22)37-23(17(3)13-31(25(21)33)18(4)15-32)14-30(5)38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,32H,13-15H2,1-5H3,(H2,28,29,34)/t17-,18-,23-/m1/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[N:28]=[C:26]([NH:29][C:22]1=[CH:8][CH:6]=[CH:7][C:21]2=[C:24]1[O:37][C@H:23]([CH2:14][N:30]([CH3:5])[S:38]([C:20]1=[CH:12][CH:10]=[C:19]([F:27])[CH:9]=[CH:11]1)(=[O:35])=[O:36])[C@H:17]([CH3:3])[CH2:13][N:31]([C@H:18]([CH3:4])[CH2:15][OH:32])[C:25]2=[O:33])[OH:34]

Parent-child relations graph

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