1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Properties Image MNX_ID MNXM341266 reference chebi:111817 formula C27H38N4O6S global charge 0 mol weight 546.69 InChIKey HJQIIGSKSQOFKI-DFIYOIEZSA-N InChI InChI=1S/C27H38N4O6S/c1-17(2)28-27(34)30(6)15-25-19(4)14-31(20(5)16-32)26(33)23-13-21(9-12-24(23)37-25)29-38(35,36)22-10-7-18(3)8-11-22/h7-13,17,19-20,25,29,32H,14-16H2,1-6H3,(H,28,34)/t19-,20+,25-/m0/s1 SMILES CC1=CC=C(S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C27H38N4O6S/c1-17(2)28-27(34)30(6)15-25-19(4)14-31(20(5)16-32)26(33)23-13-21(9-12-24(23)37-25)29-38(35,36)22-10-7-18(3)8-11-22/h7-13,17,19-20,25,29,32H,14-16H2,1-6H3,(H,28,34)/t19-,20+,25-/m0/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[N:28]=[C:27]([N:30]([CH3:6])[CH2:15][C@H:25]1[C@@H:19]([CH3:4])[CH2:14][N:31]([C@H:20]([CH3:5])[CH2:16][OH:32])[C:26](=[O:33])[C:23]2=[C:24]([CH:12]=[CH:9][C:21]([NH:29][S:38]([C:22]3=[CH:11][CH:8]=[C:18]([CH3:3])[CH:7]=[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