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

Properties Image MNX_ID MNXM339325 reference chebi:128591 formula C20H32N4O4 global charge 0 mol weight 392.5 InChIKey IJNNGEYJEFGHTL-ZQIUZPCESA-N InChI InChI=1S/C20H32N4O4/c1-12(2)22-20(27)23-16-8-6-7-15-18(16)28-17(9-21-5)13(3)10-24(19(15)26)14(4)11-25/h6-8,12-14,17,21,25H,9-11H2,1-5H3,(H2,22,23,27)/t13-,14-,17-/m0/s1 SMILES CNC[C@@H]1OC2=C(C=CC=C2NC(=O)NC(C)C)C(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C20H32N4O4/c1-12(2)22-20(27)23-16-8-6-7-15-18(16)28-17(9-21-5)13(3)10-24(19(15)26)14(4)11-25/h6-8,12-14,17,21,25H,9-11H2,1-5H3,(H2,22,23,27)/t13-,14-,17-/m0/s1 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[N:22]=[C:20]([NH:23][C:16]1=[CH:8][CH:6]=[CH:7][C:15]2=[C:18]1[O:28][C@@H:17]([CH2:9][NH:21][CH3:5])[C@@H:13]([CH3:3])[CH2:10][N:24]([C@@H:14]([CH3:4])[CH2:11][OH:25])[C:19]2=[O:26])[OH:27]

Parent-child relations graph

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