1-[[(2S,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

Properties Image MNX_ID MNXM341529 reference chebi:95817 formula C19H29BrN4O4 global charge 0 mol weight 457.369 InChIKey LKDAMHONCJEZRZ-HEHGZKQESA-N InChI InChI=1S/C19H29BrN4O4/c1-5-6-21-19(27)23(4)10-16-12(2)9-24(13(3)11-25)18(26)15-7-14(20)8-22-17(15)28-16/h7-8,12-13,16,25H,5-6,9-11H2,1-4H3,(H,21,27)/t12-,13-,16+/m0/s1 SMILES CCCNC(=O)N(C)C[C@H]1OC2=NC=C(Br)C=C2C(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C19H29BrN4O4/c1-5-6-21-19(27)23(4)10-16-12(2)9-24(13(3)11-25)18(26)15-7-14(20)8-22-17(15)28-16/h7-8,12-13,16,25H,5-6,9-11H2,1-4H3,(H,21,27)/t12-,13-,16+/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][N:21]=[C:19]([N:23]([CH3:4])[CH2:10][C@@H:16]1[C@@H:12]([CH3:2])[CH2:9][N:24]([C@@H:13]([CH3:3])[CH2:11][OH:25])[C:18](=[O:26])[C:15]2=[C:17]([N:22]=[CH:8][C:14]([Br:20])=[CH:7]2)[O:28]1)[OH:27]

Parent-child relations graph

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