1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM341375 reference chebi:130374 formula C28H34N4O6S global charge 0 mol weight 554.669 InChIKey ZCTHAUMPHRHCFX-HHJKRLRDSA-N InChI InChI=1S/C28H34N4O6S/c1-18-15-32(19(2)17-33)27(34)22-12-8-14-24(30-39(4,36)37)26(22)38-25(18)16-31(3)28(35)29-23-13-7-10-20-9-5-6-11-21(20)23/h5-14,18-19,25,30,33H,15-17H2,1-4H3,(H,29,35)/t18-,19+,25-/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(O[C@@H]1CN(C)C(=O)NC1=CC=CC3=CC=CC=C31)C(NS(C)(=O)=O)=CC=C2 MNX internals InChI (mnx) InChI=1/C28H34N4O6S/c1-18-15-32(19(2)17-33)27(34)22-12-8-14-24(30-39(4,36)37)26(22)38-25(18)16-31(3)28(35)29-23-13-7-10-20-9-5-6-11-21(20)23/h5-14,18-19,25,30,33H,15-17H2,1-4H3,(H,29,35)/t18-,19+,25-/m1/s1 SMILES (mnx) [CH3:1][C@@H:18]1[CH2:15][N:32]([C@@H:19]([CH3:2])[CH2:17][OH:33])[C:27](=[O:34])[C:22]2=[C:26]([C:24]([NH:30][S:39]([CH3:4])(=[O:36])=[O:37])=[CH:14][CH:8]=[CH:12]2)[O:38][C@@H:25]1[CH2:16][N:31]([CH3:3])[C:28](=[N:29][C:23]1=[CH:13][CH:7]=[CH:10][C:20]2=[CH:9][CH:5]=[CH:6][CH:11]=[C:21]21)[OH:35]

Parent-child relations graph

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