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

Properties Image MNX_ID MNXM344600 reference chebi:108737 formula C23H36N4O4 global charge 0 mol weight 432.565 InChIKey HFFGMDRCIAVIES-JXXFODFXSA-N InChI InChI=1S/C23H36N4O4/c1-15-13-27(16(2)14-28)22(29)18-10-7-11-19(21(18)31-20(15)12-24-3)26-23(30)25-17-8-5-4-6-9-17/h7,10-11,15-17,20,24,28H,4-6,8-9,12-14H2,1-3H3,(H2,25,26,30)/t15-,16-,20-/m1/s1 SMILES CNC[C@H]1OC2=C(C=CC=C2NC(=O)NC2CCCCC2)C(=O)N([C@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C23H36N4O4/c1-15-13-27(16(2)14-28)22(29)18-10-7-11-19(21(18)31-20(15)12-24-3)26-23(30)25-17-8-5-4-6-9-17/h7,10-11,15-17,20,24,28H,4-6,8-9,12-14H2,1-3H3,(H2,25,26,30)/t15-,16-,20-/m1/s1 SMILES (mnx) [CH3:1][C@@H:15]1[CH2:13][N:27]([C@H:16]([CH3:2])[CH2:14][OH:28])[C:22](=[O:29])[C:18]2=[C:21]([C:19]([NH:26][C:23](=[N:25][CH:17]3[CH2:8][CH2:5][CH2:4][CH2:6][CH2:9]3)[OH:30])=[CH:11][CH:7]=[CH:10]2)[O:31][C@@H:20]1[CH2:12][NH:24][CH3:3]

Parent-child relations graph

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