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

Properties Image MNX_ID MNXM339267 reference chebi:108676 formula C30H41FN4O4 global charge 0 mol weight 540.68 InChIKey COSGGAMFLVSIQD-ISCCLHIJSA-N InChI InChI=1S/C30H41FN4O4/c1-20-16-35(21(2)19-36)29(37)25-10-7-11-26(33-30(38)32-24-14-12-23(31)13-15-24)28(25)39-27(20)18-34(3)17-22-8-5-4-6-9-22/h7,10-15,20-22,27,36H,4-6,8-9,16-19H2,1-3H3,(H2,32,33,38)/t20-,21+,27-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC2)OC2=C(C=CC=C2NC(=O)NC2=CC=C(F)C=C2)C1=O MNX internals InChI (mnx) InChI=1/C30H41FN4O4/c1-20-16-35(21(2)19-36)29(37)25-10-7-11-26(33-30(38)32-24-14-12-23(31)13-15-24)28(25)39-27(20)18-34(3)17-22-8-5-4-6-9-22/h7,10-15,20-22,27,36H,4-6,8-9,16-19H2,1-3H3,(H2,32,33,38)/t20-,21+,27-/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[CH2:16][N:35]([C@H:21]([CH3:2])[CH2:19][OH:36])[C:29](=[O:37])[C:25]2=[C:28]([C:26]([N:33]=[C:30]([NH:32][C:24]3=[CH:15][CH:13]=[C:23]([F:31])[CH:12]=[CH:14]3)[OH:38])=[CH:11][CH:7]=[CH:10]2)[O:39][C@H:27]1[CH2:18][N:34]([CH3:3])[CH2:17][CH:22]1[CH2:8][CH2:5][CH2:4][CH2:6][CH2:9]1

Parent-child relations graph

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